1-[4-(4-ethylbenzoyl)-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-(4-ethylbenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
1-[4-(4-ethylbenzoyl)-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: | V002-9039 |
| Compound Name: | 1-[4-(4-ethylbenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one |
| Molecular Weight: | 515.72 |
| Molecular Formula: | C31 H37 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N1CCCN(CC1)C(C(C)N1CCc2c(ccs2)C1c1ccccc1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7524 |
| logD: | 5.7244 |
| logSw: | -5.3642 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.343 |
| InChI Key: | TWMAHXODAVPQFG-UHFFFAOYSA-N |