N-[2-(3-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
N-[2-(3-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
N-[2-(3-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | F151-0454 |
| Compound Name: | N-[2-(3-{[2-(3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C20 H18 N6 O5 S |
| Smiles: | CCC(Nc1ccccc1C1C(NC(=NN=1)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5296 |
| logD: | 2.3744 |
| logSw: | -3.13 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.778 |
| InChI Key: | KDSVUYQLAJDWBD-UHFFFAOYSA-N |