methyl 4-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzoate
Chemical Structure Depiction of
methyl 4-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzoate
methyl 4-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzoate
Compound characteristics
| Compound ID: | 6540-0057 |
| Compound Name: | methyl 4-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzoate |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c3C(=NC(c4ccc(cc4)C(=O)OC)Nc3sc2C1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3435 |
| logD: | 5.3326 |
| logSw: | -5.3431 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.783 |
| InChI Key: | KNYFSAKIIHVLSO-UHFFFAOYSA-N |