N-ethyl-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
N-ethyl-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
N-ethyl-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | D583-0658 |
| Compound Name: | N-ethyl-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | CCN(C(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1647 |
| logD: | 2.1647 |
| logSw: | -2.4687 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.708 |
| InChI Key: | OXVKEBBMKFHUCT-UHFFFAOYSA-N |