ChemSpider 2D Image | N-[(1R,3r)-Adamantan-1-yl]-2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide | C23H29N3O2S2

N-[(1R,3r)-Adamantan-1-yl]-2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

  • Molecular FormulaC23H29N3O2S2
  • Average mass443.625 Da
  • Monoisotopic mass443.170105 Da
  • ChemSpider ID80796500

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Acetamide, 2-[[3,4-dihydro-5,6-dimethyl-4-oxo-3-(2-propen-1-yl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-[(1R)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
N-[(1R,3r)-Adamantan-1-yl]-2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-[(1R,3r)-Adamantan-1-yl]-2-[(3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-[(1R,3r)-Adamantan-1-yl]-2-[(3-allyl-5,6-diméthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidin-2-yl)sulfanyl]acétamide [French] [ACD/IUPAC 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: 1.736
Molar Refractivity: 123.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 762.80
ACD/KOC (pH 5.5): 4025.61
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 762.80
ACD/KOC (pH 7.4): 4025.61
Polar Surface Area: 115 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 306.6±7.0 cm3

Click to predict properties on the Chemicalize site


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