N-[2-(4-methylphenyl)ethyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
N-[2-(4-methylphenyl)ethyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C771-0088 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide |
| Molecular Weight: | 335.44 |
| Molecular Formula: | C16 H17 N O3 S2 |
| Smiles: | Cc1ccc(CCNC(c2cc3CS(Cc3s2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2638 |
| logD: | 2.2638 |
| logSw: | -2.8044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.869 |
| InChI Key: | IHSNBSZMTNLJNM-UHFFFAOYSA-N |