6-tert-butyl-4-{[(4-methoxyphenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{[(4-methoxyphenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
6-tert-butyl-4-{[(4-methoxyphenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 2189-1596 |
| Compound Name: | 6-tert-butyl-4-{[(4-methoxyphenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | CC(C)(C)C1C(N(C(=NN=1)SC)/N=C/c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2031 |
| logD: | 3.112 |
| logSw: | -3.2908 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.568 |
| InChI Key: | JXTQZEIULXAAMX-UHFFFAOYSA-N |