Basic information
- Standard SMILES
C=CCC1(C)C(=O)Nc2ccccc2N(CC(=O)N(c2ccc(OC)cc2)C(C)C)C1=O- InChIKey
KVRSTDYYDPBHSM-UHFFFAOYSA-N- Molecular formula
- C25H29N3O4
- Average molar mass
- 435.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-Allyl-3-methyl-2,4-dioxo-2,3,4,5-tetrahydro benzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-(4-methoxyphenyl) acetamide
- IUPAC
- N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxo-3-prop-2-enyl-1H-1,5-benzodiazepin-5-yl)-N-propan-2-ylacetamide
Names & synonyms
SCHEMBL8806294KVRSTDYYDPBHSM-UHFFFAOYSA-N2-(3-Allyl-3-methyl-2,4-dioxo-2,3,4,5-tetrahydro benzo[b][1,4]diazepin-1-yl)-N-isopropyl-N-(4-methoxyphenyl) acetamide
Database identifiers
- PubChem CID
- 67697106
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 716
Related reactions
2 records
Compound notes
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