2-(4-fluorophenyl)-1-{4-[3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-{4-[3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
2-(4-fluorophenyl)-1-{4-[3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | G866-0895 |
| Compound Name: | 2-(4-fluorophenyl)-1-{4-[3-(3-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C23 H22 F N7 O2 |
| Smiles: | COc1cccc(c1)n1c2c(c(ncn2)N2CCN(CC2)C(Cc2ccc(cc2)F)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.1026 |
| logD: | 3.1025 |
| logSw: | -3.2052 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.098 |
| InChI Key: | MJVPDCUZZDKSTM-UHFFFAOYSA-N |