Lixivaptan

C₂₇H₂₁ClFN₃O₂CAS 168079-32-1473.93 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₂₇H₂₁ClFN₃O₂
Molar mass: 473.93 g/mol
Exact mass: 473.1306 Da
logP: 6.43Crippen estimate
Polar surface area: 57.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

168079-32-1

SMILES

Cc1ccc(F)cc1C(O)=Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1

InChIKey

PPHTXRNHTVLQED-UHFFFAOYSA-N

InChI

InChI=1S/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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

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-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-5-fluoro-2-methylbenzamide
VPA 985
WAY-VPA 985

Work with Lixivaptan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Fluoro-2-methylbenzoic acid33184-16-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook