Basic information
- Standard SMILES
Cc1cn(C)c2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O- InChIKey
GGRXIXFGIHUTAB-UHFFFAOYSA-N- Molecular formula
- C20H25N5O2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.20082506
Names & identifiers
- Preferred name
- 1,3-Dimethyl-4-[(4-methyl-1-piperazinyl)acetyl]-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one
- IUPAC
- 1,3-dimethyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
Names & synonyms
SCHEMBL10966726GGRXIXFGIHUTAB-UHFFFAOYSA-N1,3-Dimethyl-4-[(4-methyl-1-piperazinyl)acetyl]-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one
Database identifiers
- PubChem CID
- 20515432
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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