1-[4-(4-tert-butylbenzoyl)-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-tert-butylbenzoyl)-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-tert-butylbenzoyl)-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: | V002-9003 |
| Compound Name: | 1-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one |
| Molecular Weight: | 543.77 |
| Molecular Formula: | C33 H41 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C(N1CCCN(CC1)C(c1ccc(cc1)C(C)(C)C)=O)=O)N1CCc2c(ccs2)C1c1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6162 |
| logD: | 6.5882 |
| logSw: | -5.6913 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.343 |
| InChI Key: | VGZUEQGSTMMCAP-UHFFFAOYSA-N |