4-[2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)ethyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)ethyl]benzene-1-sulfonamide
4-[2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)ethyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y600-2721 |
| Compound Name: | 4-[2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}amino)ethyl]benzene-1-sulfonamide |
| Molecular Weight: | 502.98 |
| Molecular Formula: | C22 H23 Cl N6 O4 S |
| Smiles: | CN1C(c2c(nc(NCCc3ccc(cc3)S(N)(=O)=O)n2Cc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6907 |
| logD: | 2.6898 |
| logSw: | -3.6169 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.291 |
| InChI Key: | AKXUPFVMSHJNMH-UHFFFAOYSA-N |