methyl 4-[3,3-dimethyl-10-(2-methylpropanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3,3-dimethyl-10-(2-methylpropanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[3,3-dimethyl-10-(2-methylpropanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 5236-0383 |
| Compound Name: | methyl 4-[3,3-dimethyl-10-(2-methylpropanoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C27 H30 N2 O4 |
| Smiles: | CC(C)C(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0581 |
| logD: | 4.8283 |
| logSw: | -4.6787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.61 |
| InChI Key: | PCKKWYMEJUDDQQ-DEOSSOPVSA-N |