methyl 3-(azepan-1-yl)-4-(4-methoxy-2-nitroanilino)-4-oxobutanoate
Chemical Structure Depiction of
methyl 3-(azepan-1-yl)-4-(4-methoxy-2-nitroanilino)-4-oxobutanoate
methyl 3-(azepan-1-yl)-4-(4-methoxy-2-nitroanilino)-4-oxobutanoate
Compound characteristics
| Compound ID: | 8015-2644 |
| Compound Name: | methyl 3-(azepan-1-yl)-4-(4-methoxy-2-nitroanilino)-4-oxobutanoate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C18 H25 N3 O6 |
| Smiles: | COC(CC(C(Nc1ccc(cc1[N+]([O-])=O)OC)=O)N1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8192 |
| logD: | 2.6946 |
| logSw: | -3.5112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.427 |
| InChI Key: | NVQCQCLYCXRJFG-INIZCTEOSA-N |