N-[(4-ethyl-5-{[2-(1-ethyl-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-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-0780 |
| Compound Name: | N-[(4-ethyl-5-{[2-(1-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C24 H27 N5 O3 S2 |
| Smiles: | CCn1cc(C(CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2CC)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.189 |
| logD: | 3.189 |
| logSw: | -3.3707 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.506 |
| InChI Key: | GSURFUWAXFFWDN-UHFFFAOYSA-N |