4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2,6-dimethoxyphenyl acetate
4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | Y020-2249 |
| Compound Name: | 4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C27 H30 N2 O6 |
| Smiles: | CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cc(c(c(c1)OC)OC(C)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4543 |
| logD: | 3.2244 |
| logSw: | -3.9732 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.089 |
| InChI Key: | MGHJJFQLBUDRDB-VWLOTQADSA-N |