6-tert-butyl-4-{[(4-chlorophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{[(4-chlorophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
6-tert-butyl-4-{[(4-chlorophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 2189-1603 |
| Compound Name: | 6-tert-butyl-4-{[(4-chlorophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 336.84 |
| Molecular Formula: | C15 H17 Cl N4 O S |
| Smiles: | CC(C)(C)C1C(N(C(=NN=1)SC)/N=C/c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8154 |
| logD: | 3.7495 |
| logSw: | -4.6274 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.024 |
| InChI Key: | JOMAZPWCPYLWLB-UHFFFAOYSA-N |