N-(4-methyl-2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-(4-methyl-2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-(4-methyl-2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | 3370-0931 |
| Compound Name: | N-(4-methyl-2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)NC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5695 |
| logD: | 2.4981 |
| logSw: | -3.0195 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.535 |
| InChI Key: | UFARFPRUBDULQR-UHFFFAOYSA-N |