N-benzyl-7-chloro-N-methyl-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-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-benzyl-7-chloro-N-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0024 |
| Compound Name: | N-benzyl-7-chloro-N-methyl-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 417.93 |
| Molecular Formula: | C20 H16 Cl N O3 S2 |
| Smiles: | CN(Cc1ccccc1)C(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5345 |
| logD: | 4.5345 |
| logSw: | -4.6895 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.582 |
| InChI Key: | OZAGGHBAGGOTPI-UHFFFAOYSA-N |