N-[(4-methyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
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-phenylmethanesulfonamide
N-[(4-methyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-1681 |
| 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-phenylmethanesulfonamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | Cc1c(C(CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.4885 |
| logD: | 2.4885 |
| logSw: | -2.7835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.789 |
| InChI Key: | JAUPEKXDTLGGBV-UHFFFAOYSA-N |