methyl 5-phenyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-phenyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate
methyl 5-phenyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D691-0105 |
| Compound Name: | methyl 5-phenyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C19 H15 N5 O3 S2 |
| Smiles: | COC(c1cc(c2ccccc2)sc1NC(CSc1c2c(ncn1)[nH]cn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8911 |
| logD: | 2.8782 |
| logSw: | -3.4923 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.381 |
| InChI Key: | SOSCBGMGTFRUDZ-UHFFFAOYSA-N |