N-(4-chloro-3-methylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-3-methylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(4-chloro-3-methylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D532-0335 |
| Compound Name: | N-(4-chloro-3-methylphenyl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 512.02 |
| Molecular Formula: | C21 H23 Cl F N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1ccc(c(C)c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8257 |
| logD: | 3.8256 |
| logSw: | -4.1181 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.68 |
| InChI Key: | XAHDCMAJKUGRNJ-UHFFFAOYSA-N |