butyl 4-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
butyl 4-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
butyl 4-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | Y500-5402 |
| Compound Name: | butyl 4-{2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 547.7 |
| Molecular Formula: | C29 H29 N3 O4 S2 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(CSC1=Nc2c(C(N1c1ccccc1)=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4869 |
| logD: | 6.4869 |
| logSw: | -5.7535 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.18 |
| InChI Key: | ZGTPOLOCZQCIBU-UHFFFAOYSA-N |