3-(4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7659 |
| Compound Name: | 3-(4-{2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C28 H28 N4 O2 S |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(Cc1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.464 |
| logD: | 4.457 |
| logSw: | -4.2646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.306 |
| InChI Key: | BLJSPGCDSMSXFX-FQEVSTJZSA-N |