2-[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one
2-[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V002-7891 |
| Compound Name: | 2-[4-(4-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 562.05 |
| Molecular Formula: | C28 H27 Cl F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc(cc1)C(F)(F)F)=O)C(CN1CCc2c(ccs2)C1c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2012 |
| logD: | 5.1896 |
| logSw: | -6.0693 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.309 |
| InChI Key: | BGGDUBNALOAPPM-AREMUKBSSA-N |