methyl 3-nitro-5-[(2-phenylethyl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(2-phenylethyl)carbamoyl]benzoate
methyl 3-nitro-5-[(2-phenylethyl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-0088 |
| Compound Name: | methyl 3-nitro-5-[(2-phenylethyl)carbamoyl]benzoate |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7366 |
| logD: | 2.7365 |
| logSw: | -3.2764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.049 |
| InChI Key: | DZHIQSINNLETOJ-UHFFFAOYSA-N |