2-(adamantan-1-yl)-5-(benzylamino)-4-chloropyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-(benzylamino)-4-chloropyridazin-3(2H)-one
2-(adamantan-1-yl)-5-(benzylamino)-4-chloropyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C719-0036 |
| Compound Name: | 2-(adamantan-1-yl)-5-(benzylamino)-4-chloropyridazin-3(2H)-one |
| Molecular Weight: | 369.89 |
| Molecular Formula: | C21 H24 Cl N3 O |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3695 |
| logD: | 4.3695 |
| logSw: | -4.5722 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.818 |
| InChI Key: | BAUGYTNLWFLJOT-UHFFFAOYSA-N |