N-[2-(3-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide
N-[2-(3-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide
Compound characteristics
| Compound ID: | F151-0251 |
| Compound Name: | N-[2-(3-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]benzamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | CCc1ccccc1NC(CSC1NC(C(c2cc(C)ccc2NC(c2ccccc2)=O)=NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4275 |
| logD: | 4.3466 |
| logSw: | -4.2355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.641 |
| InChI Key: | YEMFBHCILXZZEX-UHFFFAOYSA-N |