ethyl 3-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
ethyl 3-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
Compound characteristics
| Compound ID: | K891-0416 |
| Compound Name: | ethyl 3-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C21 H21 Cl N2 O2 S |
| Smiles: | CCOC(c1c(c2c(c3ccc(cc3)[Cl])c3CCCCCc3nc2s1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3937 |
| logD: | 6.3661 |
| logSw: | -6.4433 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.58 |
| InChI Key: | TXTKJWQZQAWBKF-UHFFFAOYSA-N |