7-(azepan-1-yl)-3-[(2-chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
7-(azepan-1-yl)-3-[(2-chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
7-(azepan-1-yl)-3-[(2-chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | 8016-0366 |
| Compound Name: | 7-(azepan-1-yl)-3-[(2-chlorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 342.83 |
| Molecular Formula: | C17 H19 Cl N6 |
| Smiles: | C1CCCN(CC1)c1c2c(ncn1)n(Cc1ccccc1[Cl])nn2 |
| Stereo: | ACHIRAL |
| logP: | 3.8889 |
| logD: | 3.8888 |
| logSw: | -4.0307 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.82 |
| InChI Key: | XDLDKZYCHVAJAK-UHFFFAOYSA-N |