3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6198 |
| Compound Name: | 3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 511.09 |
| Molecular Formula: | C27 H31 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0453 |
| logD: | 6.0442 |
| logSw: | -5.9781 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.118 |
| InChI Key: | OJELLRKMMHLCCB-UHFFFAOYSA-N |