6-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chlorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chlorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chlorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0464 |
| Compound Name: | 6-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-chlorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 386.84 |
| Molecular Formula: | C18 H19 Cl N6 O2 |
| Smiles: | C1CCCN(CC1)C(CN1C=Nc2c(C1=O)nnn2c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9733 |
| logD: | 1.9733 |
| logSw: | -2.7489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.882 |
| InChI Key: | RLJLEHHQNSKYTB-UHFFFAOYSA-N |