1-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V025-2148 |
| Compound Name: | 1-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 556.5 |
| Molecular Formula: | C27 H27 Br F N3 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1cccc(c1)[Br])=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5846 |
| logD: | 4.5621 |
| logSw: | -4.452 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.309 |
| InChI Key: | WMHLLFFQWYAHND-AREMUKBSSA-N |