N-[2-(3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
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]benzamide
N-[2-(3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | F151-0527 |
| Compound Name: | N-[2-(3-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]benzamide |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C24 H18 Cl N5 O3 S |
| Smiles: | C(C(Nc1cccc(c1)[Cl])=O)SC1NC(C(c2ccccc2NC(c2ccccc2)=O)=NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4306 |
| logD: | 4.2754 |
| logSw: | -4.601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.339 |
| InChI Key: | SBCYHLJEZYKOQH-UHFFFAOYSA-N |