2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y204-1501 |
| Compound Name: | 2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | C1CCc2c(C(N)=O)c(NC(c3ccc(cc3)[N+]([O-])=O)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.4159 |
| logD: | 0.6726 |
| logSw: | -2.9022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.816 |
| InChI Key: | JWCDZXIXZPQUDK-UHFFFAOYSA-N |