ethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D585-0162 |
| Compound Name: | ethyl 2-{2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C16 H17 N5 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nc(c2c(n1)[nH]cn2)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7549 |
| logD: | -0.3107 |
| logSw: | -2.3744 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.544 |
| InChI Key: | KHBHSLGDZFMQMA-UHFFFAOYSA-N |