1-{4-[4-(6-sulfanylidene-5,6-dihydrobenzimidazo[1,2-c]quinazoline-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(6-sulfanylidene-5,6-dihydrobenzimidazo[1,2-c]quinazoline-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
1-{4-[4-(6-sulfanylidene-5,6-dihydrobenzimidazo[1,2-c]quinazoline-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | K250-0351 |
| Compound Name: | 1-{4-[4-(6-sulfanylidene-5,6-dihydrobenzimidazo[1,2-c]quinazoline-3-carbonyl)piperazin-1-yl]phenyl}ethan-1-one |
| Molecular Weight: | 481.58 |
| Molecular Formula: | C27 H23 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1ccc2c(c1)NC(n1c3ccccc3nc12)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6156 |
| logD: | 3.5325 |
| logSw: | -3.8339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.138 |
| InChI Key: | LMFIMLHYASLEGD-UHFFFAOYSA-N |