methyl 5-bromo-4-phenyl-2-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-bromo-4-phenyl-2-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate
methyl 5-bromo-4-phenyl-2-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4269 |
| Compound Name: | methyl 5-bromo-4-phenyl-2-{2-[(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}thiophene-3-carboxylate |
| Molecular Weight: | 574.54 |
| Molecular Formula: | C24 H20 Br N3 O3 S3 |
| Smiles: | COC(c1c(c2ccccc2)c(sc1NC(CSc1c2c3CCCCc3sc2ncn1)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2674 |
| logD: | 5.796 |
| logSw: | -5.8801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.78 |
| InChI Key: | USNBDMTWONPLOT-UHFFFAOYSA-N |