N-[6-tert-butyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[6-tert-butyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide
N-[6-tert-butyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | 8017-1470 |
| Compound Name: | N-[6-tert-butyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl]-2-chlorobenzamide |
| Molecular Weight: | 352.84 |
| Molecular Formula: | C15 H17 Cl N4 O2 S |
| Smiles: | CC(C)(C)C1C(N(C(=NN=1)SC)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9951 |
| logD: | 1.7269 |
| logSw: | -3.6611 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.01 |
| InChI Key: | SOHMMQLUNXQHOK-UHFFFAOYSA-N |