2-[(3-tert-butoxy-2-hydroxypropyl)(prop-2-en-1-yl)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-tert-butoxy-2-hydroxypropyl)(prop-2-en-1-yl)amino]-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[(3-tert-butoxy-2-hydroxypropyl)(prop-2-en-1-yl)amino]-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V023-0673 |
| Compound Name: | 2-[(3-tert-butoxy-2-hydroxypropyl)(prop-2-en-1-yl)amino]-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 490.64 |
| Molecular Formula: | C26 H35 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OCC(CN(CC=C)CC(N1CCc2c(ccs2)C1COc1ccc(cc1)F)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4791 |
| logD: | 4.478 |
| logSw: | -4.1374 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.369 |
| InChI Key: | IRRVRSZUPDNADZ-UHFFFAOYSA-N |