[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
[(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | D226-0115 |
| Compound Name: | [(7-butyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetic acid |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C12 H16 N4 O4 S |
| Smiles: | CCCCn1c2C(NC(N(C)c2nc1SCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2466 |
| logD: | -2.1973 |
| logSw: | -2.0227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.834 |
| InChI Key: | OHMFAHMIYSFGPO-UHFFFAOYSA-N |