methyl 3-methyl-11-(6-nitro-2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Chemical Structure Depiction of
methyl 3-methyl-11-(6-nitro-2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 3-methyl-11-(6-nitro-2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8014-6843 |
| Compound Name: | methyl 3-methyl-11-(6-nitro-2H-1,3-benzodioxol-5-yl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 451.43 |
| Molecular Formula: | C23 H21 N3 O7 |
| Smiles: | CC1CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccccc3N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3636 |
| logD: | 3.3599 |
| logSw: | -3.786 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.017 |
| InChI Key: | IXVAVZCUSOQYEZ-UHFFFAOYSA-N |