1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one
1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | V031-0030 |
| Compound Name: | 1-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one |
| Molecular Weight: | 528.5 |
| Molecular Formula: | C27 H27 Cl2 N3 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc(cc1[Cl])[Cl])=O)C(CN1CCc2c(ccs2)C1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8723 |
| logD: | 4.8321 |
| logSw: | -5.0813 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.309 |
| InChI Key: | DHXNVIYBXYYAHG-AREMUKBSSA-N |