N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(4-methoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(4-methoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(4-methoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0569 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-(furan-2-yl)-1-(4-methoxybenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C20 H17 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1)S(n1c(NCc2cccc(c2)[Cl])nc(c2ccco2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0168 |
| logD: | 4.0168 |
| logSw: | -4.3784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.356 |
| InChI Key: | DKPHQFWBRDELBB-UHFFFAOYSA-N |