2-[(2-hydroxyhex-5-en-1-yl)(prop-2-en-1-yl)amino]-1-{4-[(3-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)(prop-2-en-1-yl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[(2-hydroxyhex-5-en-1-yl)(prop-2-en-1-yl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V002-1468 |
| Compound Name: | 2-[(2-hydroxyhex-5-en-1-yl)(prop-2-en-1-yl)amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 454.63 |
| Molecular Formula: | C26 H34 N2 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)OCC1c2ccsc2CCN1C(CN(CC=C)CC(CCC=C)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8597 |
| logD: | 4.8568 |
| logSw: | -4.5634 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.656 |
| InChI Key: | SPVFFABQVMYBBP-UHFFFAOYSA-N |