N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Chemical Structure Depiction of
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C771-0207 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C21 H27 N3 O3 S2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(c2cc3CS(Cc3s2)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.8333 |
| logD: | 2.6261 |
| logSw: | -3.3979 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.811 |
| InChI Key: | FRYCKTJQLYPSMR-UHFFFAOYSA-N |