6-(2,2-dimethylpropyl)-1-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-decahydropyrrolo[3,2-e][1,4]diazepin-5-one
AlkaPlorer ID: AK143456
Synonym: None
IUPAC Name: (2S,5aS,8aR)-6-(2,2-dimethylpropyl)-1-methyl-2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
Structure
SMILES: CN1CCN(C(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC(C)(C)C)N2C)CC1
InChI: InChI=1S/C21H39N5O2/c1-21(2,3)15-26-9-8-17-19(26)20(28)22-14-16(24(17)5)6-7-18(27)25-12-10-23(4)11-13-25/h16-17,19H,6-15H2,1-5H3,(H,22,28)/t16-,17+,19-/m0/s1
InChIKey: XQVDPIKSXKMCFD-SCTDSRPQSA-N
Source
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Properties Information
Molecule Weight: 393.57600000000025
TPSA？: 59.13
MolLogP？: 0.459800000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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