2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | D532-0099 |
| Compound Name: | 2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C21 H24 F N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(N(C)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.037 |
| logD: | 2.037 |
| logSw: | -2.4745 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.644 |
| InChI Key: | ONHQYGHTJZUQPI-UHFFFAOYSA-N |