3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide
3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide
Compound characteristics
Compound ID: | V023-4687 |
Compound Name: | 3-bromo-N-(2-{4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-(3-methylbutyl)benzamide |
Molecular Weight: | 589.98 |
Molecular Formula: | C28 H30 Br Cl N2 O3 S |
Smiles: | CC(C)CCN(CC(N1CCc2c(ccs2)C1COc1ccc(cc1)[Cl])=O)C(c1cccc(c1)[Br])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.9485 |
logD: | 6.9485 |
logSw: | -6.5015 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.265 |
InChI Key: | AKYHBKRHXOONLH-VWLOTQADSA-N |