methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0032 |
| Compound Name: | methyl 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 372.33 |
| Molecular Formula: | C18 H16 N2 O7 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7385 |
| logD: | 3.6343 |
| logSw: | -4.1434 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.639 |
| InChI Key: | MYASFEVJZGISNQ-UHFFFAOYSA-N |