Basic information
- Standard SMILES
O=C(/C=C/c1cccc(Cl)c1)N1CCC(=O)N(CCO)CC1- InChIKey
FWAONTCXHLIDKW-SNAWJCMRSA-N- Molecular formula
- C16H19ClN2O3
- Average molar mass
- 322.78 g/mol
Names & identifiers
- Preferred name
- 1-[(E)-3-(3-chloro-phenyl)-acryloyl]-4-(2-hydroxy-ethyl)-[1,4]diazepan-5-one
- IUPAC
- 1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(2-hydroxyethyl)-1,4-diazepan-5-one
Names & synonyms
SCHEMBL2902128FWAONTCXHLIDKW-SNAWJCMRSA-N1-[(E)-3-(3-chloro-phenyl)-acryloyl]-4-(2-hydroxy-ethyl)-[1,4]diazepan-5-one
Database identifiers
- PubChem CID
- 68433973
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
2 records
Compound notes
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