1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0457 |
| Compound Name: | 1-(2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 533.05 |
| Molecular Formula: | C28 H25 Cl N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[Cl])c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9006 |
| logD: | 2.9004 |
| logSw: | -3.7523 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.867 |
| InChI Key: | CIMPXQIEVCYMGR-UHFFFAOYSA-N |