methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate
methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-0700 |
| Compound Name: | methyl 3-nitro-5-{[4-(propan-2-yl)phenyl]carbamoyl}benzoate |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4753 |
| logD: | 4.4722 |
| logSw: | -4.4071 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.885 |
| InChI Key: | NLTSZDDBSKKVGV-UHFFFAOYSA-N |