N-[4-methyl-2-(3-{[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Chemical Structure Depiction of
N-[4-methyl-2-(3-{[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
N-[4-methyl-2-(3-{[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | F151-0213 |
| Compound Name: | N-[4-methyl-2-(3-{[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)phenyl]propanamide |
| Molecular Weight: | 482.52 |
| Molecular Formula: | C22 H22 N6 O5 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCC(Nc1ccc(C)c(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1205 |
| logD: | 3.0864 |
| logSw: | -3.523 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.477 |
| InChI Key: | VUTPCTLFRCZHFT-UHFFFAOYSA-N |