2-[(3-ethoxy-2-hydroxypropyl)(3-methylbutyl)amino]-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-[(3-ethoxy-2-hydroxypropyl)(3-methylbutyl)amino]-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[(3-ethoxy-2-hydroxypropyl)(3-methylbutyl)amino]-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V022-1995 |
| Compound Name: | 2-[(3-ethoxy-2-hydroxypropyl)(3-methylbutyl)amino]-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 492.65 |
| Molecular Formula: | C26 H37 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCOCC(CN(CCC(C)C)CC(N1CCc2c(ccs2)C1COc1ccc(cc1)F)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4594 |
| logD: | 4.4548 |
| logSw: | -4.0456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.715 |
| InChI Key: | ZXNHOOYOSGDGRG-UHFFFAOYSA-N |