4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide
4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V025-3258 |
| Compound Name: | 4-{[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]acetyl}-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 537.61 |
| Molecular Formula: | C27 H28 F N5 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)C(Nc1ccc(cc1)[N+]([O-])=O)=O)C(CN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1057 |
| logD: | 4.0832 |
| logSw: | -4.2229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.512 |
| InChI Key: | OEVKVOMNSJQPAM-AREMUKBSSA-N |