2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4499 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 615.2 |
| Molecular Formula: | C34 H35 Cl N4 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[Cl])=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.191 |
| logD: | 6.1909 |
| logSw: | -6.2411 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.119 |
| InChI Key: | XSCYXEVVBWBUKW-UHFFFAOYSA-N |