methyl 3-{[4-(butan-2-yl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(butan-2-yl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(butan-2-yl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0031 |
| Compound Name: | methyl 3-{[4-(butan-2-yl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C19 H20 N2 O5 |
| Smiles: | CCC(C)c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0652 |
| logD: | 5.062 |
| logSw: | -4.7267 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | ZEQARQPRCXUWBU-LBPRGKRZSA-N |