N-{[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-{[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-3501 |
| Compound Name: | N-{[3-chloro-6-hydroxy-2-methyl-5-(propan-2-yl)phenyl]methyl}-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 444.98 |
| Molecular Formula: | C22 H25 Cl N4 O2 S |
| Smiles: | CC(C)c1cc(c(C)c(CNC(CSc2nnc(C)n2c2ccccc2)=O)c1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5773 |
| logD: | 4.5772 |
| logSw: | -4.4414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.712 |
| InChI Key: | URMMPXGEVBYRON-UHFFFAOYSA-N |