N-(2,6-difluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-(2,6-difluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(2,6-difluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0340 |
| Compound Name: | N-(2,6-difluorophenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 409.41 |
| Molecular Formula: | C17 H17 F2 N5 O3 S |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCCC(Nc1c(cccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1804 |
| logD: | 2.1583 |
| logSw: | -2.8049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.794 |
| InChI Key: | DFJDKOUYIGNUMP-UHFFFAOYSA-N |