N-(2,3-dimethylphenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-(2,3-dimethylphenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | 8015-3141 |
Compound Name: | N-(2,3-dimethylphenyl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
Molecular Weight: | 481.55 |
Molecular Formula: | C24 H24 F N5 O3 S |
Smiles: | Cc1cccc(c1C)NC(CSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1F)=O |
Stereo: | ACHIRAL |
logP: | 4.7698 |
logD: | 4.7698 |
logSw: | -4.4242 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.466 |
InChI Key: | KKMYWTJTBQYACQ-UHFFFAOYSA-N |