methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | 4130-4967 |
| Compound Name: | methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 391.38 |
| Molecular Formula: | C21 H17 N3 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N(Cc1ccccc1)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1418 |
| logD: | 4.1418 |
| logSw: | -4.4003 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.656 |
| InChI Key: | DLCUDTCWMMQWSH-UHFFFAOYSA-N |