1-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)ethan-1-one
Chemical Structure Depiction of
1-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)ethan-1-one
1-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)ethan-1-one
Compound characteristics
| Compound ID: | V021-2313 |
| Compound Name: | 1-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-(cyclopropyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)ethan-1-one |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C25 H31 Cl N2 O4 S |
| Salt: | not_available |
| Smiles: | C=CCOCC(CN(CC(N1CCc2c(ccs2)C1COc1ccc(cc1)[Cl])=O)C1CC1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0896 |
| logD: | 4.0894 |
| logSw: | -4.2417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.227 |
| InChI Key: | KYIMFXPKETXYGE-UHFFFAOYSA-N |