N-(3,4-difluorophenyl)-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-(3,4-difluorophenyl)-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8015-1391 |
| Compound Name: | N-(3,4-difluorophenyl)-2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C23 H21 F2 N5 O3 S |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCC(Nc1ccc(c(c1)F)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9741 |
| logD: | 4.9665 |
| logSw: | -4.6277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | VSJXQKWXUZQYBQ-UHFFFAOYSA-N |