N-(4-methyl-3-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-methyl-3-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-methyl-3-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y203-7399 |
| Compound Name: | N-(4-methyl-3-nitrophenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C15 H12 N2 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.351 |
| logD: | 3.3465 |
| logSw: | -3.6058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.526 |
| InChI Key: | HPFKSIXDSCTNMZ-UHFFFAOYSA-N |