1-{4-[(4-fluorophenyl)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-[(4-fluorophenyl)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-[(4-fluorophenyl)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: | V030-3478 |
| Compound Name: | 1-{4-[(4-fluorophenyl)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: | 509.62 |
| Molecular Formula: | C28 H29 F2 N3 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O)C(Cc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1281 |
| logD: | 4.1056 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.782 |
| InChI Key: | TZGXHCNKWQWFED-MUUNZHRXSA-N |