2-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Chemical Structure Depiction of
2-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
2-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Compound characteristics
| Compound ID: | C301-7507 |
| Compound Name: | 2-(adamantan-1-yl)-N-(3-chloro-4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| Molecular Weight: | 423.94 |
| Molecular Formula: | C23 H26 Cl N5 O |
| Smiles: | Cc1cc(Nc2ccc(c(c2)[Cl])OC)n2c(n1)nc(C13CC4CC(CC(C4)C3)C1)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.0756 |
| logD: | 6.0545 |
| logSw: | -6.1996 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.504 |
| InChI Key: | PVJKKXHFFOCFCI-UHFFFAOYSA-N |