2-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoic acid
Chemical Structure Depiction of
2-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoic acid
2-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | 8015-0492 |
| Compound Name: | 2-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoic acid |
| Molecular Weight: | 513.96 |
| Molecular Formula: | C23 H20 Cl N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])SCC(Nc2ccccc2C(O)=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4694 |
| logD: | 0.0565 |
| logSw: | -4.2774 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.874 |
| InChI Key: | LCNOOTJUQZOFFX-UHFFFAOYSA-N |