ChemSpider 2D Image | (10S,14S)-18,23-Dimethyl-12-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.1~3,7~.0~10,14~]pentacosa-1(24),3(25),4,6,20,22-hexaene-16,19-dione | C34H37N3O7S

(10S,14S)-18,23-Dimethyl-12-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaene-16,19-dione

  • Molecular FormulaC34H37N3O7S
  • Average mass631.739 Da
  • Monoisotopic mass631.235229 Da
  • ChemSpider ID62721987

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(10S,14S)-18,23-Dimethyl-12-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaen-16,19-dion [German] [ACD/IUPAC Name]
(10S,14S)-18,23-Dimethyl-12-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaene-16,19-dione [ACD/IUPAC Name]
(10S,14S)-18,23-Diméthyl-12-({1-[4-(méthylsulfonyl)phényl]cyclobutyl}carbonyl)-2,9-dioxa-12,15,18-triazatétracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaène-16,19-dione [French] [ACD/IUPAC Name]
10,6:16,12-Dimetheno-17H-pyrrolo[3,4-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 1,3,4,18a,19,20,21,21a-octahydro-4,9-dimethyl-20-[[1-[4-(methylsulfonyl)phenyl]cyclobutyl]carbonyl]-, (18aS,21aS)- [ACD/Index Name]
trans-4,9-dimethyl-20-({1-[4-(methylsulfonyl)phenyl]cyclobutyl}carbonyl)-1,3,4,18a,19,20,21,21a-octahydro-6,10:12,16-dimethenopyrrolo[3,4-b][1,14,4,7]dioxadiazacycloicosine-2,5-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 919.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 510.0±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 168.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.58
ACD/KOC (pH 5.5): 292.66
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.58
ACD/KOC (pH 7.4): 292.66
Polar Surface Area: 131 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 494.4±3.0 cm3

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