3-tert-butyl-7-{[(4-chlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Chemical Structure Depiction of
3-tert-butyl-7-{[(4-chlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
3-tert-butyl-7-{[(4-chlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Compound characteristics
| Compound ID: | 8017-1473 |
| Compound Name: | 3-tert-butyl-7-{[(4-chlorophenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one |
| Molecular Weight: | 366.89 |
| Molecular Formula: | C15 H15 Cl N4 O S2 |
| Smiles: | CC(C)(C)C1C(N2C(=NN=1)SC(=N2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8381 |
| logD: | 4.8318 |
| logSw: | -4.8693 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.516 |
| InChI Key: | VSQIIRRUZXDQOD-UHFFFAOYSA-N |