3-tert-butyl-7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | Y010-1606 |
| Compound Name: | 3-tert-butyl-7-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C16 H15 Cl N4 O2 S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6408 |
| logD: | 4.6251 |
| logSw: | -4.8505 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.763 |
| InChI Key: | BJHLEFAVVHWIGG-UHFFFAOYSA-N |