N-(3-bromo-4-methylphenyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1(6H)-yl]acetamide
Chemical Structure Depiction of
N-(3-bromo-4-methylphenyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1(6H)-yl]acetamide
N-(3-bromo-4-methylphenyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1(6H)-yl]acetamide
Compound characteristics
| Compound ID: | D327-0054 |
| Compound Name: | N-(3-bromo-4-methylphenyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1(6H)-yl]acetamide |
| Molecular Weight: | 456.29 |
| Molecular Formula: | C21 H18 Br N3 O4 |
| Smiles: | Cc1ccc(cc1[Br])NC(CN1C(C=CC(c2ccc3c(c2)OCCO3)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1233 |
| logD: | 3.1232 |
| logSw: | -3.0792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.52 |
| InChI Key: | BKQZWFHUAHIDTH-UHFFFAOYSA-N |