N-[2-(3-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
N-[2-(3-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
Compound characteristics
Compound ID: | F151-0528 |
Compound Name: | N-[2-(3-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide |
Molecular Weight: | 475.5 |
Molecular Formula: | C24 H18 F N5 O3 S |
Smiles: | C(C(Nc1ccc(cc1)F)=O)SC1NC(C(c2ccccc2NC(c2ccccc2)=O)=NN=1)=O |
Stereo: | ACHIRAL |
logP: | 3.7061 |
logD: | 3.5509 |
logSw: | -4.1452 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 90.339 |
InChI Key: | QVKSBERAPGABAJ-UHFFFAOYSA-N |