2-(adamantan-1-yl)-5-(azepan-1-yl)-4-chloropyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-(azepan-1-yl)-4-chloropyridazin-3(2H)-one
2-(adamantan-1-yl)-5-(azepan-1-yl)-4-chloropyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C719-0083 |
| Compound Name: | 2-(adamantan-1-yl)-5-(azepan-1-yl)-4-chloropyridazin-3(2H)-one |
| Molecular Weight: | 361.91 |
| Molecular Formula: | C20 H28 Cl N3 O |
| Smiles: | C1CCCN(CC1)C1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 4.8768 |
| logD: | 4.8766 |
| logSw: | -4.9333 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 31.0105 |
| InChI Key: | DWKPYABZHLVQEV-UHFFFAOYSA-N |