N-(2-methyl-3-nitrophenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
N-(2-methyl-3-nitrophenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Compound characteristics
| Compound ID: | E475-1158 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1nc(C(Nc2cccc(c2C)[N+]([O-])=O)=O)c2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 5.5388 |
| logD: | 5.5321 |
| logSw: | -5.1959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.553 |
| InChI Key: | GDSTVODKWOPGCX-UHFFFAOYSA-N |