N-[2-(3-{[2-(2-bromoanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
N-[2-(3-{[2-(2-bromoanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
N-[2-(3-{[2-(2-bromoanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | J041-0186 |
| Compound Name: | N-[2-(3-{[2-(2-bromoanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 488.36 |
| Molecular Formula: | C20 H18 Br N5 O3 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1ccccc1[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7246 |
| logD: | 2.5694 |
| logSw: | -3.4678 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.699 |
| InChI Key: | XTXUWAYEAJGABX-UHFFFAOYSA-N |