2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-{4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}propan-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}propan-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}propan-1-one
Compound characteristics
| Compound ID: | V002-9062 |
| 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}propan-1-one |
| Molecular Weight: | 555.66 |
| Molecular Formula: | C30 H32 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C(N1CCCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O)=O)N1CCc2c(ccs2)C1c1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6944 |
| logD: | 5.6665 |
| logSw: | -5.406 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.343 |
| InChI Key: | DGBGBNJZXBYKTR-UHFFFAOYSA-N |