N-ethyl-N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]acetamide
Chemical Structure Depiction of
N-ethyl-N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]acetamide
N-ethyl-N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | J018-0033 |
| Compound Name: | N-ethyl-N-[2-(3-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CCN(C(C)=O)c1ccccc1C1C(NC(=NN=1)SCC(Nc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2753 |
| logD: | 2.2412 |
| logSw: | -2.8809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.033 |
| InChI Key: | HWCSKONDFLOLDR-UHFFFAOYSA-N |