N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | D331-0285 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-3-(furan-2-yl)-1-(naphthalene-2-sulfonyl)-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Smiles: | CN(C)c1ccc(CNc2nc(c3ccco3)nn2S(c2ccc3ccccc3c2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5458 |
| logD: | 4.5303 |
| logSw: | -4.7262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.345 |
| InChI Key: | ADIVPSCXLHVBJZ-UHFFFAOYSA-N |