1-{4-[(benzyloxy)acetyl]-1,4-diazepan-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Chemical Structure Depiction of
1-{4-[(benzyloxy)acetyl]-1,4-diazepan-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-{4-[(benzyloxy)acetyl]-1,4-diazepan-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V006-1815 |
| Compound Name: | 1-{4-[(benzyloxy)acetyl]-1,4-diazepan-1-yl}-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 521.65 |
| Molecular Formula: | C29 H32 F N3 O3 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(COCc1ccccc1)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6483 |
| logD: | 3.6258 |
| logSw: | -3.9433 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.216 |
| InChI Key: | MIJBEQVSCJVPGN-GDLZYMKVSA-N |