N-[2-(3-{[2-(3-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-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-N-ethylacetamide
N-[2-(3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]-N-ethylacetamide
Compound characteristics
| Compound ID: | J018-0029 |
| Compound Name: | N-[2-(3-{[2-(3-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(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2341 |
| logD: | 3.1999 |
| logSw: | -3.665 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.731 |
| InChI Key: | VXWLBIQVEXVJON-UHFFFAOYSA-N |