ChemSpider 2D Image | compound 16 [PMID: 23412139] | C18H17ClN4OS

compound 16 [PMID: 23412139]

  • Molecular FormulaC18H17ClN4OS
  • Average mass372.872 Da
  • Monoisotopic mass372.081146 Da
  • ChemSpider ID28661672

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-2-Amino-6-{3-chlor-5-[5-(1-propin-1-yl)-3-pyridinyl]-2-thienyl}-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
(6S)-2-Amino-6-{3-chloro-5-[5-(1-propyn-1-yl)-3-pyridinyl]-2-thienyl}-3,6-dimethyl-5,6-dihydro-4(3H)-pyrimidinone [ACD/IUPAC Name]
(6S)-2-Amino-6-{3-chloro-5-[5-(1-propyn-1-yl)-3-pyridinyl]-2-thiényl}-3,6-diméthyl-5,6-dihydro-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-amino-6-[3-chloro-5-[5-(1-propyn-1-yl)-3-pyridinyl]-2-thienyl]-5,6-dihydro-3,6-dimethyl-, (6S)- [ACD/Index Name]
compound 16 [PMID: 23412139]
(2z,6s)-6-{3-Chloro-5-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]thiophen-2-Yl}-2-Imino-3,6-Dimethyltetrahydropyrimidin-4(1h)-One
(6S)-2-amino-6-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
0V6
1392015-19-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.0±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.52
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 17.84
ACD/KOC (pH 7.4): 213.15
Polar Surface Area: 97 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 277.6±7.0 cm3

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