1-[4-(4-ethylbenzoyl)-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-ethylbenzoyl)-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-ethylbenzoyl)-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: | V025-3313 |
| Compound Name: | 1-[4-(4-ethylbenzoyl)-1,4-diazepan-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 505.65 |
| Molecular Formula: | C29 H32 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N1CCCN(CC1)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7504 |
| logD: | 4.7279 |
| logSw: | -4.5504 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.309 |
| InChI Key: | LHRCFGGXJRBESS-MUUNZHRXSA-N |