N-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
N-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C771-0061 |
| Compound Name: | N-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide |
| Molecular Weight: | 321.41 |
| Molecular Formula: | C15 H15 N O3 S2 |
| Smiles: | Cc1ccc(CNC(c2cc3CS(Cc3s2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3303 |
| logD: | 2.3303 |
| logSw: | -2.7519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.028 |
| InChI Key: | CHZKFPBHOBCZDM-UHFFFAOYSA-N |