1-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Chemical Structure Depiction of
1-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
1-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one
Compound characteristics
| Compound ID: | V025-6738 |
| Compound Name: | 1-[4-(4-tert-butylbenzene-1-sulfonyl)-3-methylpiperazin-1-yl]-3-[4-(4-methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propan-1-one |
| Molecular Weight: | 579.82 |
| Molecular Formula: | C32 H41 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1S(c1ccc(cc1)C(C)(C)C)(=O)=O)C(CCN1CCc2c(ccs2)C1c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5054 |
| logD: | 5.4776 |
| logSw: | -5.6592 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.015 |
| InChI Key: | QXXSAVXKVKGEHG-UHFFFAOYSA-N |