N-[2-(3-{[(3-bromophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
Chemical Structure Depiction of
N-[2-(3-{[(3-bromophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
N-[2-(3-{[(3-bromophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide
Compound characteristics
| Compound ID: | F151-0127 |
| Compound Name: | N-[2-(3-{[(3-bromophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)-4-methylphenyl]propanamide |
| Molecular Weight: | 459.36 |
| Molecular Formula: | C20 H19 Br N4 O2 S |
| Smiles: | CCC(Nc1ccc(C)cc1C1C(NC(=NN=1)SCc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0258 |
| logD: | 4.005 |
| logSw: | -4.0421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.247 |
| InChI Key: | RAXANBAKZZWQNS-UHFFFAOYSA-N |