3-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6516 |
| Compound Name: | 3-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 569.73 |
| Molecular Formula: | C32 H35 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)N2CCOCC2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7564 |
| logD: | 4.7559 |
| logSw: | -4.3407 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.287 |
| InChI Key: | QLKQEXCDZHXQOC-UHFFFAOYSA-N |