N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-8-fluoro-4-hydroxyquinoline-3-carboxamide
Chemical Structure Depiction of
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-8-fluoro-4-hydroxyquinoline-3-carboxamide
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-8-fluoro-4-hydroxyquinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y044-3824 |
| Compound Name: | N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-8-fluoro-4-hydroxyquinoline-3-carboxamide |
| Molecular Weight: | 420.4 |
| Molecular Formula: | C22 H17 F N4 O4 |
| Smiles: | C1CC2C(Nc3ccc(cc3C(N2C1)=O)NC(c1cnc2c(cccc2c1O)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1779 |
| logD: | 1.3511 |
| logSw: | -2.8769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.241 |
| InChI Key: | VCCXDLJMRAVPIR-QGZVFWFLSA-N |