3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6502 |
| Compound Name: | 3-({4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 576.12 |
| Molecular Formula: | C30 H30 Cl N5 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1821 |
| logD: | 4.1815 |
| logSw: | -4.5085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.588 |
| InChI Key: | WUAINIPEHBLOFH-UHFFFAOYSA-N |