N,N-diethyl-2-(3-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
N,N-diethyl-2-(3-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
N,N-diethyl-2-(3-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8009-7719 |
| Compound Name: | N,N-diethyl-2-(3-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C22 H28 N2 O2 S |
| Smiles: | CCN(CC)C(c1c2CCCCCc2sc1NC(c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7085 |
| logD: | 1.5302 |
| logSw: | -4.4878 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.308 |
| InChI Key: | KKNCUHGLUXDFSC-UHFFFAOYSA-N |