Nelivaptan
(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
Molecular Identity
Nelivaptan
(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID: 9895468
2D Structure
Properties
C30H32ClN3O8S
Molecular Formula
630.10
Molecular Weight
g/mol
629.1599
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
1140
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Nelivaptan439687-69-1SSR 149415SSR149415Nelivaptan [INN]SR-149415SSR-149415(2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide3TY57MQ4OASSR-149,415DTXSID7047358NELIVAPTAN [WHO-DD]DTXCID5027358(2S,4R)-1-((3R)-5-Chloro-1-((2,4-dimethoxybenzene)sulfonyl)-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide(2S,4R)-1-[(3R)-5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide
Data from PubChem (NCBI)
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