ethyl 6-ethyl-2-{2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-{2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-{2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-5249 |
| Compound Name: | ethyl 6-ethyl-2-{2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C24 H27 N3 O4 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSC3=Nc4ccccc4C(N3C)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3073 |
| logD: | 2.4765 |
| logSw: | -4.4586 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.426 |
| InChI Key: | JMKZSAMYJURXKI-CQSZACIVSA-N |