Basic information
- Standard SMILES
CC(C)C(=O)Nc1ccc(N2C(=O)CC(=O)Nc3c2ccc2c3CCCC2)cc1- InChIKey
FUQCCRDQJYSXLG-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
Names & identifiers
- Preferred name
- 5-[4-(Isopropylcarbonylamino)phenyl]-1,5,8,9,10,11-hexahydronaphtho[1,2-b][1,4]diazepine-2,4-dione
- IUPAC
- N-[4-(2,4-dioxo-8,9,10,11-tetrahydro-1H-benzo[i][1,5]benzodiazepin-5-yl)phenyl]-2-methylpropanamide
Names & synonyms
SCHEMBL14972595FUQCCRDQJYSXLG-UHFFFAOYSA-N5-[4-(Isopropylcarbonylamino)phenyl]-1,5,8,9,10,11-hexahydronaphtho[1,2-b][1,4]diazepine-2,4-dione
Database identifiers
- PubChem CID
- 86689324
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Related reactions
1 records
Compound notes
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