Lixivaptan
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
Molecular Identity
Lixivaptan
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
PubChem CID: 172997
2D Structure
Properties
C27H21ClFN3O2
Molecular Formula
473.90
Molecular Weight
g/mol
473.1306
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
54.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
753
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)ClIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)ClSynonyms(20)
Lixivaptan168079-32-1VPA-985WAY-VPA-985LixarVPA985CRTX-080N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamideCRTX080WAY VPA-985CRTX 0808F5X4B082EDTXSID00168472Benzamide, N-[3-chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-5-fluoro-2-methyl-Benzamide, N-(3-chloro-4-(5H-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11H)-ylcarbonyl)phenyl)-5-fluoro-2-methyl-
Data from PubChem (NCBI)
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