6-[(4-methanesulfonylphenyl)methyl]-1-methyl-2-[3-oxo-3-(pyrrolidin-1-yl)propyl]-decahydropyrrolo[3,2-e][1,4]diazepin-5-one
AlkaPlorer ID: AK546042
Synonym: None
IUPAC Name: 1-methyl-6-[(4-methylsulfonylphenyl)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: CN1C(CCC(=O)N2CCCC2)CNC(=O)C2C1CCN2CC1=CC=C(S(C)(=O)=O)C=C1
InChI: InChI=1S/C23H34N4O4S/c1-25-18(7-10-21(28)26-12-3-4-13-26)15-24-23(29)22-20(25)11-14-27(22)16-17-5-8-19(9-6-17)32(2,30)31/h5-6,8-9,18,20,22H,3-4,7,10-16H2,1-2H3,(H,24,29)
InChIKey: VEZYKGKUJQOQTN-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 462.6160000000002
TPSA？: 90.03
MolLogP？: 0.8658000000000023
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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