6-[(3-chlorophenyl)methyl]-1-methyl-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]-decahydropyrrolo[3,2-e][1,4]diazepin-5-one
AlkaPlorer ID: AK082290
Synonym: None
IUPAC Name: (2S,5aS,8aR)-6-[(3-chlorophenyl)methyl]-1-methyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
Structure
SMILES: CN1[C@@H](CCC(=O)N2CCCC2)CNC(=O)[C@@H]2[C@H]1CCN2CC1=CC=CC(Cl)=C1
InChI: InChI=1S/C22H31ClN4O2/c1-25-18(7-8-20(28)26-10-2-3-11-26)14-24-22(29)21-19(25)9-12-27(21)15-16-5-4-6-17(23)13-16/h4-6,13,18-19,21H,2-3,7-12,14-15H2,1H3,(H,24,29)/t18-,19+,21-/m0/s1
InChIKey: ZZXCDWXLSICIAX-ZVDOUQERSA-N
Source
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Properties Information
Molecule Weight: 418.96900000000016
TPSA？: 55.89000000000001
MolLogP？: 2.1157000000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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