N-cyclohexyl-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Chemical Structure Depiction of
N-cyclohexyl-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
N-cyclohexyl-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Compound characteristics
| Compound ID: | D532-0262 |
| Compound Name: | N-cyclohexyl-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C20 H28 F N5 O3 S2 |
| Smiles: | CN(C1CCCCC1)C(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0853 |
| logD: | 2.0853 |
| logSw: | -2.5517 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.563 |
| InChI Key: | MIEQNEZLDIQDPX-UHFFFAOYSA-N |