ethyl 2-{2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4499-0040 |
| Compound Name: | ethyl 2-{2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C24 H25 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc(C)cc(c2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5074 |
| logD: | 3.4827 |
| logSw: | -5.3455 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.413 |
| InChI Key: | SAUSINJSGGIMKA-UHFFFAOYSA-N |