ChemSpider 2D Image | Pavinetant | C26H25N3O3S

Pavinetant

  • Molecular FormulaC26H25N3O3S
  • Average mass459.560 Da
  • Monoisotopic mass459.161652 Da
  • ChemSpider ID28189763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(Methylsulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-chinolincarboxamid [German] [ACD/IUPAC Name]
3-[(Méthylsulfonyl)amino]-2-phényl-N-[(1S)-1-phénylpropyl]-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
3-[(Methylsulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide [ACD/IUPAC Name]
4-Quinolinecarboxamide, 3-[(methylsulfonyl)amino]-2-phenyl-N-[(1S)-1-phenylpropyl]- [ACD/Index Name]
941690-55-7 [RN]
pavinetant [Spanish] [INN]
Pavinetant [INN] [USAN]
pavinétant [French] [INN]
pavinetantum [Latin] [INN]
帕维奈坦 [Chinese] [INN]
More...

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

10773 [DBID]
3U471ZVC5K [DBID]
AZ124752520 [DBID]
AZD2624 [DBID]
AZD-2624 [DBID]
AZD4901 [DBID]
mle-4901 [DBID]
MLE4901 [DBID]
UNII:3U471ZVC5K [DBID]
AZD 2624 [DBID]
More...
  • Miscellaneous

    • Chemical Class:

      A member of the class of quinolines that is the amide obtained by formal condensation of the carboxy group of 3-[(methanesulfonyl)amino]-2-phenylquinoline-4-carboxylic acid with the amino group of (1S )-1-phenylpropan-1-amine. A neurokinin-3 receptor antagonist that has been trialled as a potential drug for treatment of schizophrenia and menopausal symptoms. ChEBI CHEBI:140478

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 476.52
ACD/KOC (pH 5.5): 1712.71
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 36.58
ACD/KOC (pH 7.4): 131.48
Polar Surface Area: 97 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 357.4±3.0 cm3

Click to predict properties on the Chemicalize site


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