N-[(4-ethyl-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-ethyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(4-ethyl-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: | D583-1777 |
| Compound Name: | N-[(4-ethyl-5-{[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C23 H25 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(c1c2ccccc2[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1031 |
| logD: | 3.1031 |
| logSw: | -3.4059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.704 |
| InChI Key: | XTNWCOYUXVFOOZ-UHFFFAOYSA-N |