5,5-dioxo-N-(3-phenylpropyl)-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Chemical Structure Depiction of
5,5-dioxo-N-(3-phenylpropyl)-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
5,5-dioxo-N-(3-phenylpropyl)-5,6-dihydro-4H-5lambda~6~-thieno[3,4-b]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C771-0063 |
| Compound Name: | 5,5-dioxo-N-(3-phenylpropyl)-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: | C(Cc1ccccc1)CNC(c1cc2CS(Cc2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8169 |
| logD: | 2.8169 |
| logSw: | -3.4476 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.869 |
| InChI Key: | JPKRFNVSSHFOLM-UHFFFAOYSA-N |