methyl [3,3-dimethyl-1-oxo-11-(2,3,4-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
Chemical Structure Depiction of
methyl [3,3-dimethyl-1-oxo-11-(2,3,4-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
methyl [3,3-dimethyl-1-oxo-11-(2,3,4-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate
Compound characteristics
| Compound ID: | Y020-2239 |
| Compound Name: | methyl [3,3-dimethyl-1-oxo-11-(2,3,4-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C27 H32 N2 O6 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3OC)OC)OC)N(CC(=O)OC)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2452 |
| logD: | 4.2253 |
| logSw: | -4.4087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.495 |
| InChI Key: | OQLSKTRDNRRNDC-DEOSSOPVSA-N |