N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzamide
Compound characteristics
| Compound ID: | V011-0280 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxo-2,3-dihydropyridazin-4-yl]amino}benzamide |
| Molecular Weight: | 576.61 |
| Molecular Formula: | C33 H28 N4 O6 |
| Smiles: | Cc1cccc(c1)OC1C=NN(C(C=1Nc1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5384 |
| logD: | 5.508 |
| logSw: | -5.4957 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.389 |
| InChI Key: | RANMNSIZVVYSFK-UHFFFAOYSA-N |