1-[4-(2H-1,3-benzodioxole-5-carbonyl)-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-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one
1-[4-(2H-1,3-benzodioxole-5-carbonyl)-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: | V002-9006 |
| Compound Name: | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-(4-phenyl-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethan-1-one |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C28 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(c1ccc2c(c1)OCO2)=O)C(CN1CCc2c(ccs2)C1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5764 |
| logD: | 3.5361 |
| logSw: | -3.7995 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.425 |
| InChI Key: | IJUJPKTVOYZTKF-HHHXNRCGSA-N |