methyl 3-[benzyl(methyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[benzyl(methyl)carbamoyl]-5-nitrobenzoate
methyl 3-[benzyl(methyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0077 |
| Compound Name: | methyl 3-[benzyl(methyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | CN(Cc1ccccc1)C(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9606 |
| logD: | 2.9606 |
| logSw: | -3.3789 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.944 |
| InChI Key: | LSTMTMJTELSXGN-UHFFFAOYSA-N |