3-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
3-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 4-nitrobenzoate
3-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-5708 |
| Compound Name: | 3-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C28 H25 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)OC(c3ccc(cc3)[N+]([O-])=O)=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1566 |
| logD: | 5.1461 |
| logSw: | -5.13 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.507 |
| InChI Key: | UUFSCJGUXXMZCL-SANMLTNESA-N |