2-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
2-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | V003-1260 |
| Compound Name: | 2-[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]-7-(3,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 541.82 |
| Molecular Formula: | C21 H16 Cl3 F N6 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1c1nc2nccc(c3ccc(c(c3)[Cl])[Cl])n2n1)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.032 |
| logD: | 5.0319 |
| logSw: | -5.4773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.111 |
| InChI Key: | BYQGTSAISNKHRP-UHFFFAOYSA-N |