2-ethyl-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)hexan-1-one
Chemical Structure Depiction of
2-ethyl-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)hexan-1-one
2-ethyl-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)hexan-1-one
Compound characteristics
| Compound ID: | V018-2150 |
| Compound Name: | 2-ethyl-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-1,4-diazepan-1-yl)hexan-1-one |
| Molecular Weight: | 499.69 |
| Molecular Formula: | C28 H38 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3266 |
| logD: | 5.3041 |
| logSw: | -5.2838 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.581 |
| InChI Key: | IAXOWSNOGCMTFE-UHFFFAOYSA-N |