3-bromo-N-(2-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Chemical Structure Depiction of
3-bromo-N-(2-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
3-bromo-N-(2-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V013-6883 |
| Compound Name: | 3-bromo-N-(2-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-N-[2-(pyrrolidin-1-yl)ethyl]benzamide |
| Molecular Weight: | 600.55 |
| Molecular Formula: | C29 H31 Br F N3 O3 S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)CCN(CC(N1CCc2c(ccs2)C1COc1ccc(cc1)F)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0629 |
| logD: | 4.1067 |
| logSw: | -4.9578 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.342 |
| InChI Key: | BXUKCSDKIHKLPZ-SANMLTNESA-N |