2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{4-[chloro(difluoro)methoxy]phenyl}acetamide
Chemical Structure Depiction of
2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{4-[chloro(difluoro)methoxy]phenyl}acetamide
2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{4-[chloro(difluoro)methoxy]phenyl}acetamide
Compound characteristics
| Compound ID: | 8012-5415 |
| Compound Name: | 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{4-[chloro(difluoro)methoxy]phenyl}acetamide |
| Molecular Weight: | 501.94 |
| Molecular Formula: | C20 H22 Cl F2 N5 O4 S |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1SCC(Nc1ccc(cc1)OC(F)(F)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5603 |
| logD: | 4.5603 |
| logSw: | -4.5952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.911 |
| InChI Key: | FVMZKTWAWBQYBD-UHFFFAOYSA-N |