1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
Chemical Structure Depiction of
1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate
Compound characteristics
| Compound ID: | V002-5054 |
| Compound Name: | 1-{4-[7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-2-methyl-1-oxopropan-2-yl acetate |
| Molecular Weight: | 477.35 |
| Molecular Formula: | C21 H22 Cl2 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(=O)OC(C)(C)C(N1CCN(CC1)c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2881 |
| logD: | 3.2851 |
| logSw: | -3.7337 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.271 |
| InChI Key: | VTNXFWFCNSWQOW-UHFFFAOYSA-N |