methyl 3-{[3-(4-chlorophenyl)-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-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E711-0142 |
| Compound Name: | methyl 3-{[3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | COC(c1c(ccs1)NC(c1c2CCCCCn2c(c2ccc(cc2)[Cl])n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.191 |
| logD: | 5.0564 |
| logSw: | -5.5836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.665 |
| InChI Key: | FVYUPCNUORYIHS-UHFFFAOYSA-N |