N-(2-cyanophenyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]butanamide
N-(2-cyanophenyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8009-2813 |
| Compound Name: | N-(2-cyanophenyl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C15 H15 N5 O2 S |
| Smiles: | CCC(C(Nc1ccccc1C#N)=O)SC1NC(C(C)=NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3539 |
| logD: | 2.323 |
| logSw: | -3.0385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.962 |
| InChI Key: | NQEXFSHQOGRPRG-LBPRGKRZSA-N |