methyl 3-(azepane-1-carbonyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(azepane-1-carbonyl)-5-nitrobenzoate
methyl 3-(azepane-1-carbonyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0053 |
| Compound Name: | methyl 3-(azepane-1-carbonyl)-5-nitrobenzoate |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C15 H18 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6484 |
| logD: | 2.6484 |
| logSw: | -2.8444 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.773 |
| InChI Key: | RRJAGBMMRKXCEB-UHFFFAOYSA-N |