2-(adamantan-1-yl)-4-chloro-5-(3,4,5-trimethoxyanilino)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-(3,4,5-trimethoxyanilino)pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-(3,4,5-trimethoxyanilino)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C719-0015 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-(3,4,5-trimethoxyanilino)pyridazin-3(2H)-one |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C23 H28 Cl N3 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 4.2198 |
| logD: | 4.2192 |
| logSw: | -4.5408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.474 |
| InChI Key: | BCASJWBUDOAGFE-UHFFFAOYSA-N |