methyl 3-{[(4-chlorophenyl)methyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[(4-chlorophenyl)methyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[(4-chlorophenyl)methyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1974 |
| Compound Name: | methyl 3-{[(4-chlorophenyl)methyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 348.74 |
| Molecular Formula: | C16 H13 Cl N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3978 |
| logD: | 3.3957 |
| logSw: | -4.0501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.207 |
| InChI Key: | RNAGYUFWOIULCB-UHFFFAOYSA-N |