N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | J041-0182 |
| Compound Name: | N-[2-(3-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 461.9 |
| Molecular Formula: | C20 H17 Cl F N5 O3 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccc(c(c1)[Cl])F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.192 |
| logD: | 3.0368 |
| logSw: | -3.6433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.397 |
| InChI Key: | BNGQDBAUTFVKPX-UHFFFAOYSA-N |