ethyl 4-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-4-oxobutanoate
ethyl 4-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | V010-5633 |
| Compound Name: | ethyl 4-(4-{2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-1,4-diazepan-1-yl)-4-oxobutanoate |
| Molecular Weight: | 511.68 |
| Molecular Formula: | C28 H37 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)C(C(C)N1CCc2c(ccs2)C1c1ccccc1C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8204 |
| logD: | 3.7925 |
| logSw: | -3.7571 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.246 |
| InChI Key: | DEMOVKUOLXPNJI-UHFFFAOYSA-N |