Basic information
- Standard SMILES
COc1ccc2cccnc2c1N1CCCN(C(CC(=O)N2CCN(C)CC2)c2csc(N3CCC(O)CC3)n2)CC1- InChIKey
HKMVWVZLJZPOJL-UHFFFAOYSA-N- Molecular formula
- C31H43N7O3S
- Average molar mass
- 593.8 g/mol
Names & identifiers
- Preferred name
- (+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-1-(4-methyl-piperazin-1-yl)-propan-1-one
- IUPAC
- 3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
Names & synonyms
SCHEMBL1062505HKMVWVZLJZPOJL-UHFFFAOYSA-N(+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-1-(4-methyl-piperazin-1-yl)-propan-1-one
Database identifiers
- PubChem CID
- 59366181
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 871
Related reactions
3 records
Compound notes
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