ethyl 6-methyl-2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-7652 |
| Compound Name: | ethyl 6-methyl-2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C18 H21 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1ncccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3643 |
| logD: | 1.3396 |
| logSw: | -3.6522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.742 |
| InChI Key: | DPMWYJRSYFYCEW-LLVKDONJSA-N |