2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(furan-2-yl)methyl]acetamide
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J024-0006 |
| Compound Name: | 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C28 H29 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)N(CC(NCc3ccco3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1641 |
| logD: | 5.1442 |
| logSw: | -5.0158 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.8 |
| InChI Key: | PTYVVVLPLIEFCF-MHZLTWQESA-N |