N-[2-(3-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-N-ethylacetamide
Chemical Structure Depiction of
N-[2-(3-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-N-ethylacetamide
N-[2-(3-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-N-ethylacetamide
Compound characteristics
| Compound ID: | J018-0179 |
| Compound Name: | N-[2-(3-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-N-ethylacetamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C21 H20 Cl N5 O3 S |
| Smiles: | CCN(C(C)=O)c1ccccc1C1C(NC(=NN=1)SCC(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5313 |
| logD: | 2.4971 |
| logSw: | -3.4079 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.033 |
| InChI Key: | NTYTWJPWULRIJA-UHFFFAOYSA-N |