1-(4-chlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
1-(4-chlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
1-(4-chlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D116-0357 |
| Compound Name: | 1-(4-chlorobenzene-1-sulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C20 H15 Cl F N5 O2 S |
| Smiles: | C(c1ccc(cc1)F)Nc1nc(c2cccnc2)nn1S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5308 |
| logD: | 3.1991 |
| logSw: | -4.0651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.751 |
| InChI Key: | VPRNZHXOCIKVTA-UHFFFAOYSA-N |