2-[4-(2-methylphenyl)-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-(2-methylphenyl)-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-(2-methylphenyl)-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: | V001-6558 |
| Compound Name: | 2-[4-(2-methylphenyl)-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: | 541.64 |
| Molecular Formula: | C29 H30 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2ccsc2CCN1CC(N1CCCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0373 |
| logD: | 5.0124 |
| logSw: | -4.5394 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.309 |
| InChI Key: | AZLYJDYZRYKWNF-HHHXNRCGSA-N |