N-[(4-methyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-methyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-methyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D583-1397 |
| Compound Name: | N-[(4-methyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C23 H25 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(c1c2ccccc2[nH]c1C)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0335 |
| logD: | 3.0335 |
| logSw: | -3.4893 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.789 |
| InChI Key: | XINBQVBHZHYQIP-UHFFFAOYSA-N |