ethyl 6-methyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D691-0103 |
| Compound Name: | ethyl 6-methyl-2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C19 H21 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1c2c(ncn1)[nH]cn2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9727 |
| logD: | 0.8695 |
| logSw: | -3.333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.153 |
| InChI Key: | KWQNKJMHMDXJLQ-SNVBAGLBSA-N |