N-{2-[benzyl(methyl)amino]ethyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0151 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 461 |
| Molecular Formula: | C22 H21 Cl N2 O3 S2 |
| Smiles: | CN(CCNC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8299 |
| logD: | 3.4777 |
| logSw: | -4.3437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.78 |
| InChI Key: | NWTYSEGZTJYVKQ-UHFFFAOYSA-N |