N-[4-chloro-3-(trifluoromethyl)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-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0181 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 475.88 |
| Molecular Formula: | C18 H17 Cl F3 N5 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7894 |
| logD: | 3.7318 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.189 |
| InChI Key: | FHYVSPPGNFUJIG-UHFFFAOYSA-N |