6-(morpholin-4-yl)-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-(morpholin-4-yl)-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-(morpholin-4-yl)-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6523 |
| Compound Name: | 6-(morpholin-4-yl)-3-({4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 586.67 |
| Molecular Formula: | C30 H30 N6 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6456 |
| logD: | 3.6451 |
| logSw: | -3.9494 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.969 |
| InChI Key: | FFGWYFGJHOBXSB-UHFFFAOYSA-N |