methyl 3-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E475-1233 |
| Compound Name: | methyl 3-{[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc(C(Nc2ccsc2C(=O)OC)=O)c2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 5.0196 |
| logD: | 4.8851 |
| logSw: | -4.4796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.665 |
| InChI Key: | QWYGGGRLZPOGLG-UHFFFAOYSA-N |