N-{[3-(trifluoromethyl)phenyl]methyl}-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-{[3-(trifluoromethyl)phenyl]methyl}-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-{[3-(trifluoromethyl)phenyl]methyl}-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0361 |
| Compound Name: | N-{[3-(trifluoromethyl)phenyl]methyl}-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C19 H20 F3 N5 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(NCc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6811 |
| logD: | 2.6811 |
| logSw: | -3.1037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.511 |
| InChI Key: | FIMRGVDFJKSXOP-UHFFFAOYSA-N |