N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-1622 |
| Compound Name: | N-[(4-ethyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C19 H27 N5 O4 S2 |
| Smiles: | CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0938 |
| logD: | 1.0938 |
| logSw: | -2.2023 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.832 |
| InChI Key: | RNVOCHIAHLFYMK-UHFFFAOYSA-N |