1-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-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-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
1-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V030-0193 |
| Compound Name: | 1-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-2-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 569.76 |
| Molecular Formula: | C30 H36 F N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1S(c1ccc(cc1)C(C)(C)C)(=O)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9748 |
| logD: | 5.9524 |
| logSw: | -5.5295 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.036 |
| InChI Key: | NADZBTDTJLJVAX-UHFFFAOYSA-N |