N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0280 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(4-methylbenzene-1-sulfonyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | Cc1ccc(cc1)S(n1c(NCc2ccc(cc2)N(C)C)nc(c2ccco2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8505 |
| logD: | 3.8351 |
| logSw: | -3.9686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.617 |
| InChI Key: | VHABBLQJDQLXIX-UHFFFAOYSA-N |