1-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K289-0520 |
| Compound Name: | 1-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 561.06 |
| Molecular Formula: | C29 H25 Cl N4 O4 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7033 |
| logD: | 2.7028 |
| logSw: | -3.7856 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.114 |
| InChI Key: | LNPCKQLCOBWYJZ-UHFFFAOYSA-N |