3-chloro-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
3-chloro-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
3-chloro-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | V001-8997 |
| Compound Name: | 3-chloro-1-(4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one |
| Molecular Weight: | 492.06 |
| Molecular Formula: | C25 H31 Cl F N3 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(C(C)(C)C[Cl])=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4048 |
| logD: | 4.3823 |
| logSw: | -4.2036 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.468 |
| InChI Key: | IQMBVRQFDCUCOW-UHFFFAOYSA-N |