N-[2-(3-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
Chemical Structure Depiction of
N-[2-(3-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
N-[2-(3-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
Compound characteristics
| Compound ID: | F151-0183 |
| Compound Name: | N-[2-(3-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide |
| Molecular Weight: | 492.38 |
| Molecular Formula: | C21 H19 Cl2 N5 O3 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCC(Nc1ccc(c(c1)[Cl])[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1871 |
| logD: | 4.1529 |
| logSw: | -4.4307 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.397 |
| InChI Key: | ZEQGBZLJKMVCQU-UHFFFAOYSA-N |