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]ethan-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]ethan-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]ethan-1-one
Compound characteristics
| Compound ID: | V025-6778 |
| 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]ethan-1-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C1c2ccsc2CCN1CC(N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.003 |
| logD: | 3.9781 |
| logSw: | -4.1026 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.425 |
| InChI Key: | SITNBUYZITZWIU-MUUNZHRXSA-N |