N-ethyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
N-ethyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
N-ethyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | D580-1715 |
| Compound Name: | N-ethyl-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 473.62 |
| Molecular Formula: | C22 H27 N5 O3 S2 |
| Smiles: | CCN(C(CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7096 |
| logD: | 2.7096 |
| logSw: | -3.0478 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.708 |
| InChI Key: | TUIRXWALINCYDU-UHFFFAOYSA-N |