2-(adamantan-1-yl)-4-chloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C301-1563 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]pyridazin-3(2H)-one |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C22 H24 Cl N3 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1C(C(=C(C=N1)Nc1ccc2c(c1)OCCO2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8118 |
| logD: | 3.8115 |
| logSw: | -4.4235 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.319 |
| InChI Key: | PPFVOIHQUJJEKE-UHFFFAOYSA-N |