Basic information
- Standard SMILES
CC(C)C(C(N)=O)(c1ccccc1)N1C(=O)C(C)(CC(N)=O)C(=O)N(c2ccccc2)c2ccccc21- InChIKey
QTVGUCXJPUETCQ-UHFFFAOYSA-N- Molecular formula
- C29H30N4O4
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.22670545
Names & identifiers
- Preferred name
- 2-[1-(Isopropyl-phenyl-carbamoylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-3-yl]acetamide
- IUPAC
- 2-[3-(2-amino-2-oxoethyl)-3-methyl-2,4-dioxo-1-phenyl-1,5-benzodiazepin-5-yl]-3-methyl-2-phenylbutanamide
Names & synonyms
SCHEMBL8816285QTVGUCXJPUETCQ-UHFFFAOYSA-N2-[1-(Isopropyl-phenyl-carbamoylmethyl)-3-methyl-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-3-yl]acetamide
Database identifiers
- PubChem CID
- 67700623
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 894
Related reactions
1 records
Compound notes
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