1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-3,3-dimethylbutan-1-one
1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V022-8889 |
| Compound Name: | 1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-3,3-dimethylbutan-1-one |
| Molecular Weight: | 471.64 |
| Molecular Formula: | C26 H34 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(CC(C)(C)C)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5252 |
| logD: | 4.5027 |
| logSw: | -4.3649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.941 |
| InChI Key: | VNGUGPVXICJJLC-UHFFFAOYSA-N |