3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4903 |
| Compound Name: | 3-(4-tert-butylphenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 634.75 |
| Molecular Formula: | C39 H39 F N2 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3ccc(cc3)F)N(C(c3cc(c(c(c3)OC)OC)OC)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.2106 |
| logD: | 8.1687 |
| logSw: | -5.6729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.871 |
| InChI Key: | BGHHKUPZFVNSFJ-UHFFFAOYSA-N |