11-(3-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4038-0025 |
| Compound Name: | 11-(3-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 668.72 |
| Molecular Formula: | C38 H37 F N2 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3cccc(c3)F)N(C(c3cc(c(c(c3)OC)OC)OC)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0118 |
| logD: | 5.97 |
| logSw: | -5.5121 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.849 |
| InChI Key: | SHBHLLGDUVTMBM-UHFFFAOYSA-N |