N-(5-tert-butyl-2-hydroxyphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-tert-butyl-2-hydroxyphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(5-tert-butyl-2-hydroxyphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D532-0261 |
| Compound Name: | N-(5-tert-butyl-2-hydroxyphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 521.63 |
| Molecular Formula: | C23 H28 F N5 O4 S2 |
| Smiles: | CC(C)(C)c1ccc(c(c1)NC(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1C)=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.1696 |
| logD: | 3.1693 |
| logSw: | -3.2656 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.616 |
| InChI Key: | GRMUKIKOHDKIAV-UHFFFAOYSA-N |