N-{[5-amino-1-(4-tert-butylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{[5-amino-1-(4-tert-butylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzene-1-sulfonamide
N-{[5-amino-1-(4-tert-butylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | C908-0176 |
| Compound Name: | N-{[5-amino-1-(4-tert-butylbenzene-1-sulfonyl)-1H-1,2,4-triazol-3-yl]methyl}-4-tert-butylbenzene-1-sulfonamide |
| Molecular Weight: | 505.66 |
| Molecular Formula: | C23 H31 N5 O4 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(NCc1nc(N)n(n1)S(c1ccc(cc1)C(C)(C)C)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0639 |
| logD: | 5.0356 |
| logSw: | -4.7749 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.874 |
| InChI Key: | LBFIKJYLVJFYAO-UHFFFAOYSA-N |