N-benzyl-7-chloro-N-ethyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-benzyl-7-chloro-N-ethyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-benzyl-7-chloro-N-ethyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0126 |
| Compound Name: | N-benzyl-7-chloro-N-ethyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 431.96 |
| Molecular Formula: | C21 H18 Cl N O3 S2 |
| Smiles: | CCN(Cc1ccccc1)C(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7362 |
| logD: | 4.7362 |
| logSw: | -4.8392 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.367 |
| InChI Key: | IKIHXWKZSYWQEF-UHFFFAOYSA-N |