ethyl N-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)alaninate
Chemical Structure Depiction of
ethyl N-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)alaninate
ethyl N-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)alaninate
Compound characteristics
| Compound ID: | C918-0191 |
| Compound Name: | ethyl N-(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)alaninate |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C17 H16 Cl N O5 S2 |
| Smiles: | CCOC(C(C)NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3305 |
| logD: | 3.3305 |
| logSw: | -3.6781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.033 |
| InChI Key: | UBDYOMAEDQRPBM-VIFPVBQESA-N |