3-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6197 |
| Compound Name: | 3-({4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 490.67 |
| Molecular Formula: | C28 H34 N4 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6231 |
| logD: | 5.6218 |
| logSw: | -5.4015 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.637 |
| InChI Key: | OMWGUADJCRBZDS-HWELCPFYSA-N |