1-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
1-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Compound characteristics
| Compound ID: | V002-9027 |
| Compound Name: | 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C30 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C(N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O)=O)N1CCc2c(ccs2)C1c1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6601 |
| logD: | 4.6321 |
| logSw: | -4.4705 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.459 |
| InChI Key: | JHIRAXCFJFOOGW-UHFFFAOYSA-N |