N-(2,3-dimethylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-(2,3-dimethylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G856-8443 |
Compound Name: | N-(2,3-dimethylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
Molecular Weight: | 387.46 |
Molecular Formula: | C18 H21 N5 O3 S |
Smiles: | Cc1cccc(c1C)NC(CSc1nc2C(N(C)C(N(C)c2n1C)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7131 |
logD: | 2.7131 |
logSw: | -2.8984 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.491 |
InChI Key: | RLJMCERVBDDSBZ-UHFFFAOYSA-N |