({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | 8011-4129 |
| Compound Name: | ({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid |
| Molecular Weight: | 394.83 |
| Molecular Formula: | C16 H15 Cl N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)[Cl])SCC(O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6061 |
| logD: | -0.8378 |
| logSw: | -2.9407 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.67 |
| InChI Key: | MSEIJQOZCQQWDD-UHFFFAOYSA-N |