Basic information
- Standard SMILES
COc1ccc(CCN(C)CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)cc1- InChIKey
UDJULLSMWDLQAD-UHFFFAOYSA-N- Molecular formula
- C24H24N4O3
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- 5,11-Dihydro-11-{2-[N-(4-methoxyphenethyl)-N-methylamino]acetyl}-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
- IUPAC
- 11-[2-[2-(4-methoxyphenyl)ethyl-methylamino]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL9259180UDJULLSMWDLQAD-UHFFFAOYSA-N5,11-Dihydro-11-{2-[N-(4-methoxyphenethyl)-N-methylamino]acetyl}-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Database identifiers
- PubChem CID
- 9931723
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 622
Related reactions
1 records
Compound notes
Loading…