3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine
3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0508 |
| Compound Name: | 3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-N-{[4-(propan-2-yl)phenyl]methyl}-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC(C)c1ccc(CNc2nc(c3ccco3)nn2S(c2ccc(C)cc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0987 |
| logD: | 5.0987 |
| logSw: | -4.9098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.812 |
| InChI Key: | ZPZUEDQKACHTRQ-UHFFFAOYSA-N |