10-acetyl-3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4780-0047 |
| Compound Name: | 10-acetyl-3-(4-tert-butylphenyl)-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 524.66 |
| Molecular Formula: | C33 H36 N2 O4 |
| Smiles: | CC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)Nc2ccccc12)c1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6739 |
| logD: | 6.3541 |
| logSw: | -5.6406 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.893 |
| InChI Key: | VMMHRLAQOLUHGZ-UHFFFAOYSA-N |