methyl 3-nitro-5-[(1-phenylethyl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(1-phenylethyl)carbamoyl]benzoate
methyl 3-nitro-5-[(1-phenylethyl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-0047 |
| Compound Name: | methyl 3-nitro-5-[(1-phenylethyl)carbamoyl]benzoate |
| Molecular Weight: | 328.32 |
| Molecular Formula: | C17 H16 N2 O5 |
| Smiles: | CC(c1ccccc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0626 |
| logD: | 3.0618 |
| logSw: | -3.4949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.37 |
| InChI Key: | IKRSXQRMIUTUID-NSHDSACASA-N |