Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3ccc(CNC(=O)c4cccc(CC5CCNCC5)c4)s3)c2)CCN1- InChIKey
KOZIWTZZUWSOEO-QFIPXVFZSA-N- Molecular formula
- C30H38N4OS
- Average molar mass
- 502.7 g/mol
Names & identifiers
- Preferred name
- N-{[5-(3-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-2-thienyl]methyl}-3-(4-piperidinylmethyl)benzamide
- IUPAC
- N-[[5-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]thiophen-2-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide
Names & synonyms
SCHEMBL1630375KOZIWTZZUWSOEO-QFIPXVFZSA-NN-{[5-(3-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-2-thienyl]methyl}-3-(4-piperidinylmethyl)benzamide
Database identifiers
- PubChem CID
- 57736706
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 686
Related reactions
1 records
Compound notes
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