2-(adamantan-1-yl)-5-(4-bromo-3-methylanilino)-4-chloropyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-(4-bromo-3-methylanilino)-4-chloropyridazin-3(2H)-one
2-(adamantan-1-yl)-5-(4-bromo-3-methylanilino)-4-chloropyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1399 |
| Compound Name: | 2-(adamantan-1-yl)-5-(4-bromo-3-methylanilino)-4-chloropyridazin-3(2H)-one |
| Molecular Weight: | 448.79 |
| Molecular Formula: | C21 H23 Br Cl N3 O |
| Smiles: | Cc1cc(ccc1[Br])NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 6.0138 |
| logD: | 6.0137 |
| logSw: | -6.1378 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.496 |
| InChI Key: | YULBASCDIDKHRH-UHFFFAOYSA-N |