({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | 3601-0431 |
| Compound Name: | ({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid |
| Molecular Weight: | 412.82 |
| Molecular Formula: | C16 H14 Cl F N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])F)SCC(O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5637 |
| logD: | -0.8802 |
| logSw: | -2.8179 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.67 |
| InChI Key: | KAFAHIWROABUQY-UHFFFAOYSA-N |