3-(4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7660 |
| Compound Name: | 3-(4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 505.04 |
| Molecular Formula: | C27 H25 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(Cc1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9773 |
| logD: | 4.9714 |
| logSw: | -4.9106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.787 |
| InChI Key: | BLNWNIFCERQEHW-UHFFFAOYSA-N |