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Lixivaptan ,Lixivaptan (USAN),Lixivaptan [USAN:INN],VPA985,VPA-985 ,D0

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摘 要:Lixivaptan ,Lixivaptan (USAN),Lixivaptan [USAN:INN],VPA985,VPA-985 ,D04752,168079-32-1,Benzamide, N-(3-chloro-4-(5H-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11H)-ylcarbonyl)phenyl)-5-fluoro-2-methyl-;, N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,,4]benzod
[Synonyms]
Lixivaptan
Lixivaptan (USAN)
Lixivaptan [USAN:INN]
VPA985
VPA-985
D04752
168079-32-1
Benzamide, N-(3-chloro-4-(5H-pyrrolo(2,1-c)(1,4)benzodiazepin-10(11H)-ylcarbonyl)phenyl)-5-fluoro-2-methyl-;

[Structure]
Lixivaptan ,Lixivaptan (USAN),Lixivaptan [USAN:INN],VPA985,VPA-985 ,D0

[ Properties Computed from Structure]
Molecular Weight473.925943 [g/mol]
Molecular FormulaC27H21ClFN3O2
XLogP5.8
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count3
Tautomer Count3
Exact Mass473.130633
MonoIsotopic Mass473.130633
Topological Polar Surface Area54.3
Heavy Atom Count34
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,
4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
Canonical SMILES: CC1=C(C=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)C(=O)N3CC4=CC=CN4CC5=CC=CC=C53)Cl
InChI: InChI=1/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24
(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,
15-16H2,1H3,(H,30,33)/f/h30H

 
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