N-(2-cyanophenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanamide
N-(2-cyanophenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | Y511-4935 |
| Compound Name: | N-(2-cyanophenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]butanamide |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | CCC(C(Nc1ccccc1C#N)=O)SC1NC(C=C(C)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.19 |
| logD: | 1.787 |
| logSw: | -2.98 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.02 |
| InChI Key: | LXEAHMJGOWNALV-ZDUSSCGKSA-N |