N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-9062 |
| Compound Name: | N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 462.86 |
| Molecular Formula: | C20 H13 Cl F2 N4 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)OC(F)(F)[Cl])=O)SC1NC(C(C#N)=C(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7079 |
| logD: | 0.1549 |
| logSw: | -4.5277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.085 |
| InChI Key: | IBPXVEMHXHTNOE-UHFFFAOYSA-N |