2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
Chemical Structure Depiction of
2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid
Compound characteristics
| Compound ID: | 4094-0279 |
| Compound Name: | 2-({7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoic acid |
| Molecular Weight: | 408.86 |
| Molecular Formula: | C17 H17 Cl N4 O4 S |
| Smiles: | CC(C(O)=O)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0834 |
| logD: | -0.123 |
| logSw: | -3.2001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.694 |
| InChI Key: | FDOYQAUJXUVMLF-VIFPVBQESA-N |