2-(adamantan-1-yl)-4-chloro-5-(4-methoxyanilino)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-(4-methoxyanilino)pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-(4-methoxyanilino)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1549 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-(4-methoxyanilino)pyridazin-3(2H)-one |
| Molecular Weight: | 385.89 |
| Molecular Formula: | C21 H24 Cl N3 O2 |
| Smiles: | COc1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 4.8216 |
| logD: | 4.8213 |
| logSw: | -4.8428 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.039 |
| InChI Key: | BMCFCVXBZZIDCN-UHFFFAOYSA-N |