ethyl 4-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)piperazine-1-carboxylate
ethyl 4-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C918-0053 |
| Compound Name: | ethyl 4-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C19 H19 Cl N2 O5 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3345 |
| logD: | 3.3345 |
| logSw: | -3.6739 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.86 |
| InChI Key: | DYRHXWAUDBJYOI-UHFFFAOYSA-N |