6-[2-(azepan-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-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-[(2-fluorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[2-(azepan-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0166 |
| Compound Name: | 6-[2-(azepan-1-yl)-2-oxoethyl]-3-[(2-fluorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C19 H21 F N6 O2 |
| Smiles: | C1CCCN(CC1)C(CN1C=Nc2c(C1=O)nnn2Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5442 |
| logD: | 1.5441 |
| logSw: | -1.8917 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.745 |
| InChI Key: | XUJPRFRDZMKFEP-UHFFFAOYSA-N |