3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | 5518-1665 |
| Compound Name: | 3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | COc1ccc(CCNC(c2c(c3cc4CCCCCc4nc3s2)N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8039 |
| logD: | 3.7773 |
| logSw: | -4.0877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.613 |
| InChI Key: | BMHRSSWOFAFDCJ-UHFFFAOYSA-N |