2-{(2-hydroxyhex-5-en-1-yl)[(oxolan-2-yl)methyl]amino}-1-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-{(2-hydroxyhex-5-en-1-yl)[(oxolan-2-yl)methyl]amino}-1-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-{(2-hydroxyhex-5-en-1-yl)[(oxolan-2-yl)methyl]amino}-1-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V021-2230 |
| Compound Name: | 2-{(2-hydroxyhex-5-en-1-yl)[(oxolan-2-yl)methyl]amino}-1-{4-[(4-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 498.69 |
| Molecular Formula: | C28 H38 N2 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC(CCC=C)O)CC1CCCO1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4021 |
| logD: | 4.4019 |
| logSw: | -4.0512 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.061 |
| InChI Key: | HGBNFYNDSCZVID-UHFFFAOYSA-N |