N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8017-1694 |
| Compound Name: | N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide |
| Molecular Weight: | 418.4 |
| Molecular Formula: | C23 H18 N2 O6 |
| Smiles: | Cc1ccc(cc1)C(c1cc2c(cc1NC(c1ccc(cc1)[N+]([O-])=O)=O)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4528 |
| logD: | 3.3779 |
| logSw: | -3.8234 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.303 |
| InChI Key: | OHSSACNKBKQROH-UHFFFAOYSA-N |