3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6520 |
| Compound Name: | 3-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 590.14 |
| Molecular Formula: | C31 H32 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.881 |
| logD: | 4.8805 |
| logSw: | -4.8274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.287 |
| InChI Key: | UIQPZZDHOYBHGR-UHFFFAOYSA-N |