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-ethoxyphenyl 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-ethoxyphenyl 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-ethoxyphenyl acetate
Compound characteristics
| Compound ID: | 3046-8784 |
| 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-ethoxyphenyl acetate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C27 H30 N2 O5 |
| Smiles: | CCOc1cc(ccc1OC(C)=O)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7417 |
| logD: | 3.5118 |
| logSw: | -4.1473 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.952 |
| InChI Key: | VBMRCWWDNUXMFG-SANMLTNESA-N |