N-[(4-ethyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(4-ethyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-1766 |
| Compound Name: | N-[(4-ethyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C21 H27 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(c1cc(C)n(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0647 |
| logD: | 2.0647 |
| logSw: | -2.9906 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.781 |
| InChI Key: | YDOKLUUKNYVIOY-UHFFFAOYSA-N |