2-(adamantan-1-yl)-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-chloropyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-chloropyridazin-3(2H)-one
2-(adamantan-1-yl)-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-chloropyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1690 |
| Compound Name: | 2-(adamantan-1-yl)-5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-chloropyridazin-3(2H)-one |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)NCc1ccc2c(c1)OCO2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2826 |
| logD: | 4.2826 |
| logSw: | -4.6249 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.933 |
| InChI Key: | KKJIZHDCNFHSHD-UHFFFAOYSA-N |