2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | C710-0113 |
| Compound Name: | 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 341.75 |
| Molecular Formula: | C16 H12 Cl N5 O2 |
| Smiles: | c1ccc2c(c1)NC(N(c1cc(c3ccc(cc3)[Cl])n[nH]1)N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4784 |
| logD: | 3.4234 |
| logSw: | -3.9961 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.568 |
| InChI Key: | IGMSFKYPMQFBKB-UHFFFAOYSA-N |