methyl N-(4-chloro-3-nitrobenzoyl)-N-(pyridin-2-yl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(4-chloro-3-nitrobenzoyl)-N-(pyridin-2-yl)-beta-alaninate
methyl N-(4-chloro-3-nitrobenzoyl)-N-(pyridin-2-yl)-beta-alaninate
Compound characteristics
| Compound ID: | 3334-3974 |
| Compound Name: | methyl N-(4-chloro-3-nitrobenzoyl)-N-(pyridin-2-yl)-beta-alaninate |
| Molecular Weight: | 363.76 |
| Molecular Formula: | C16 H14 Cl N3 O5 |
| Smiles: | COC(CCN(C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4603 |
| logD: | 2.4603 |
| logSw: | -3.1989 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.01 |
| InChI Key: | ZHKTUCMMYLVJAR-UHFFFAOYSA-N |