N,N-dimethyl-2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
N,N-dimethyl-2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
N,N-dimethyl-2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3261-0715 |
| Compound Name: | N,N-dimethyl-2-(4-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | CN(C)C(c1c2CCCCCc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1665 |
| logD: | 0.3544 |
| logSw: | -3.6628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.758 |
| InChI Key: | MNWGAZSAIBWZHE-UHFFFAOYSA-N |