(2S)-1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-1-oxopropan-2-yl acetate
Chemical Structure Depiction of
(2S)-1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-1-oxopropan-2-yl acetate
(2S)-1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-1-oxopropan-2-yl acetate
Compound characteristics
| Compound ID: | V010-3642 |
| Compound Name: | (2S)-1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-1-oxopropan-2-yl acetate |
| Molecular Weight: | 463.32 |
| Molecular Formula: | C20 H20 Cl2 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(=O)O[C@@H](C)C(N1CCN(CC1)c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0431 |
| logD: | 3.0405 |
| logSw: | -3.3437 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.841 |
| InChI Key: | JOYCMGUVRUICAD-LBPRGKRZSA-N |