2-[(2-hydroxybutyl)(prop-2-en-1-yl)amino]-1-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Chemical Structure Depiction of
2-[(2-hydroxybutyl)(prop-2-en-1-yl)amino]-1-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
2-[(2-hydroxybutyl)(prop-2-en-1-yl)amino]-1-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V007-9953 |
| Compound Name: | 2-[(2-hydroxybutyl)(prop-2-en-1-yl)amino]-1-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 456.65 |
| Molecular Formula: | C26 H36 N2 O3 S |
| Salt: | not_available |
| Smiles: | CCC(CN(CC=C)CC(N1CCc2c(ccs2)C1COc1ccc(cc1)C(C)C)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0446 |
| logD: | 5.042 |
| logSw: | -4.3709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.656 |
| InChI Key: | PXHGVYUAWJOPQH-UHFFFAOYSA-N |