2-[(3-tert-butoxy-2-hydroxypropyl)(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-[(3-tert-butoxy-2-hydroxypropyl)(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-[(3-tert-butoxy-2-hydroxypropyl)(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: | V022-3675 |
| Compound Name: | 2-[(3-tert-butoxy-2-hydroxypropyl)(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: | 486.67 |
| Molecular Formula: | C27 H38 N2 O4 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)OCC1c2ccsc2CCN1C(CN(CC=C)CC(COC(C)(C)C)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9413 |
| logD: | 4.9402 |
| logSw: | -4.5688 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.369 |
| InChI Key: | LZPCPJKPDQXXKE-UHFFFAOYSA-N |