N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V002-2629 |
| Compound Name: | N-(2-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C28 H28 N2 O6 S |
| Smiles: | COc1cccc(c1)OCC1c2ccsc2CCN1C(CN(CC=C)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3925 |
| logD: | 4.3925 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.924 |
| InChI Key: | GEAYSDZXHHPKJA-QHCPKHFHSA-N |