6-tert-butyl-3-(3-chloroanilino)-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
6-tert-butyl-3-(3-chloroanilino)-1,2,4-triazin-5(4H)-one
6-tert-butyl-3-(3-chloroanilino)-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | C102-0237 |
| Compound Name: | 6-tert-butyl-3-(3-chloroanilino)-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 278.74 |
| Molecular Formula: | C13 H15 Cl N4 O |
| Smiles: | CC(C)(C)C1C(NC(Nc2cccc(c2)[Cl])=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9275 |
| logD: | 3.9186 |
| logSw: | -4.2143 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.124 |
| InChI Key: | ULEKZLLPMCCSMB-UHFFFAOYSA-N |