N-(4-bromo-3-methylphenyl)-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-bromo-3-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(4-bromo-3-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | M107-0003 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C18 H20 Br N5 O3 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3567 |
| logD: | 3.3566 |
| logSw: | -3.5708 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.189 |
| InChI Key: | FPIIDENXWDGPCW-UHFFFAOYSA-N |