Basic information
- Standard SMILES
O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCCN2CCCCC2)CC1- InChIKey
HAJIXWVQZKNGNA-UHFFFAOYSA-N- Molecular formula
- C22H29Cl2N3O2
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 437.1636826
Names & identifiers
- Preferred name
- 1-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
- IUPAC
- 1-[3-(3,4-dichlorophenyl)prop-2-enoyl]-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
Names & synonyms
SCHEMBL2896331
Database identifiers
- PubChem CID
- 68431985
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 580
Related reactions
2 records
Compound notes
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