4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide
4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V002-8032 |
| Compound Name: | 4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-2-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C27 H28 F N5 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(Nc1ccc(cc1)[N+]([O-])=O)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3152 |
| logD: | 4.2926 |
| logSw: | -4.2317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.399 |
| InChI Key: | KYRLCEPTVIZFPU-UHFFFAOYSA-N |