diphenyl{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid
Chemical Structure Depiction of
diphenyl{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid
diphenyl{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid
Compound characteristics
| Compound ID: | 6646-0004 |
| Compound Name: | diphenyl{2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}acetic acid |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C24 H23 N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2C)SCC(NC(C(O)=O)(c2ccccc2)c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6131 |
| logD: | -1.2493 |
| logSw: | -3.0791 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.095 |
| InChI Key: | MKRSKQKSWWHHRN-UHFFFAOYSA-N |