methyl 3-amino-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
methyl 3-amino-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate
Compound characteristics
| Compound ID: | K891-0445 |
| Compound Name: | methyl 3-amino-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | Cc1ccc(cc1)c1c2CCCCCc2nc2c1c(c(C(=O)OC)s2)N |
| Stereo: | ACHIRAL |
| logP: | 5.8027 |
| logD: | 5.7751 |
| logSw: | -5.7553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52 |
| InChI Key: | BRGJQRQJKNITPT-UHFFFAOYSA-N |