6-tert-butyl-4-{[(2-iodophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-4-{[(2-iodophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
6-tert-butyl-4-{[(2-iodophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 3232-0114 |
| Compound Name: | 6-tert-butyl-4-{[(2-iodophenyl)methylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 428.29 |
| Molecular Formula: | C15 H17 I N4 O S |
| Smiles: | CC(C)(C)C1C(N(C(=NN=1)SC)/N=C/c1ccccc1I)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1583 |
| logD: | 4.1201 |
| logSw: | -4.1858 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.024 |
| InChI Key: | XGCBBFKNLQDAJQ-UHFFFAOYSA-N |