(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C918-0264 |
| Compound Name: | (7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 471.98 |
| Molecular Formula: | C22 H18 Cl N3 O3 S2 |
| Smiles: | C1CN(CCN1C(c1cc2CSc3cc(ccc3c2s1)[Cl])=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5246 |
| logD: | 5.5246 |
| logSw: | -5.9855 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.196 |
| InChI Key: | CKVRMTRBGFWHIT-UHFFFAOYSA-N |