11-(2-chloro-6-fluorophenyl)-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-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2-chloro-6-fluorophenyl)-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: | 8013-5910 |
| Compound Name: | 11-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C28 H26 Cl F N2 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3c(cccc3[Cl])F)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2919 |
| logD: | 5.2841 |
| logSw: | -6.0514 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.454 |
| InChI Key: | NGYLIUDTLREWFV-UHFFFAOYSA-N |