4-[({1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[({1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)methyl]benzene-1-sulfonamide
4-[({1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y600-2716 |
| Compound Name: | 4-[({1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C22 H24 N6 O4 S |
| Smiles: | Cc1cccc(Cn2c3C(N(C)C(N(C)c3nc2NCc2ccc(cc2)S(N)(=O)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5719 |
| logD: | 2.5708 |
| logSw: | -2.9351 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.45 |
| InChI Key: | ZYVBLXFVKPGZHN-UHFFFAOYSA-N |