4-[11-(furan-2-yl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N-[(pyridin-4-yl)methyl]butanamide
Chemical Structure Depiction of
4-[11-(furan-2-yl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N-[(pyridin-4-yl)methyl]butanamide
4-[11-(furan-2-yl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N-[(pyridin-4-yl)methyl]butanamide
Compound characteristics
| Compound ID: | J024-0587 |
| Compound Name: | 4-[11-(furan-2-yl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N-[(pyridin-4-yl)methyl]butanamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C27 H26 N4 O4 |
| Smiles: | C1CC2=C(C(c3ccco3)N(C(CCC(NCc3ccncc3)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9181 |
| logD: | 1.7451 |
| logSw: | -2.1554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.115 |
| InChI Key: | XHLIOXWBKRVWCY-MHZLTWQESA-N |