ChemSpider 2D Image | (10S,15S)-25-Methoxy-19-methyl-12-[(3-methyl-4-oxo-3,4-dihydro-7-quinazolinyl)carbonyl]-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.1~3,7~.0~10,15~]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione | C35H37N5O7

(10S,15S)-25-Methoxy-19-methyl-12-[(3-methyl-4-oxo-3,4-dihydro-7-quinazolinyl)carbonyl]-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione

  • Molecular FormulaC35H37N5O7
  • Average mass639.698 Da
  • Monoisotopic mass639.269287 Da
  • ChemSpider ID115278393

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-25-Methoxy-19-methyl-12-[(3-methyl-4-oxo-3,4-dihydro-7-chinazolinyl)carbonyl]-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10S,15S)-25-Methoxy-19-methyl-12-[(3-methyl-4-oxo-3,4-dihydro-7-quinazolinyl)carbonyl]-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione [ACD/IUPAC Name]
(10S,15S)-25-Méthoxy-19-méthyl-12-[(3-méthyl-4-oxo-3,4-dihydro-7-quinazolinyl)carbonyl]-2,9-dioxa-12,16,19-triazatétracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaène-17,20-dione [French] [ACD/IUPAC Name]
18H-8,11-Etheno-13,17-metheno-1H-pyrido[3,4-b][1,15,4,7]dioxadiazacycloheneicosine-2,5-dione, 21-[(3,4-dihydro-3-methyl-4-oxo-7-quinazolinyl)carbonyl]-3,4,6,7,19a,20,21,22,23,23a-decahydro-10-methoxy- 4-methyl-, (19aS,23aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 173.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.52
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.84
ACD/KOC (pH 5.5): 123.10
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.84
ACD/KOC (pH 7.4): 123.12
Polar Surface Area: 130 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 471.4±7.0 cm3

Click to predict properties on the Chemicalize site


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