1-{4-[(benzyloxy)acetyl]-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-[(benzyloxy)acetyl]-1,4-diazepan-1-yl}-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
1-{4-[(benzyloxy)acetyl]-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: | V002-9051 |
| Compound Name: | 1-{4-[(benzyloxy)acetyl]-1,4-diazepan-1-yl}-2-[4-(2-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one |
| Molecular Weight: | 531.72 |
| Molecular Formula: | C31 H37 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C(N1CCCN(CC1)C(COCc1ccccc1)=O)=O)N1CCc2c(ccs2)C1c1ccccc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6502 |
| logD: | 4.6222 |
| logSw: | -4.4136 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.25 |
| InChI Key: | BCYZFUVJTVSGNR-UHFFFAOYSA-N |