N-[2-(trifluoromethoxy)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[2-(trifluoromethoxy)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[2-(trifluoromethoxy)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0339 |
| Compound Name: | N-[2-(trifluoromethoxy)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 457.43 |
| Molecular Formula: | C18 H18 F3 N5 O4 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(Nc1ccccc1OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1755 |
| logD: | 3.1357 |
| logSw: | -3.602 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.515 |
| InChI Key: | BYXMEOGCZSPLAG-UHFFFAOYSA-N |