N-(4-fluorophenyl)-11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
N-(4-fluorophenyl)-11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Compound characteristics
| Compound ID: | 8011-9874 |
| Compound Name: | N-(4-fluorophenyl)-11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 501.62 |
| Molecular Formula: | C29 H28 F N3 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OC)N(C(Nc3ccc(cc3)F)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3748 |
| logD: | 6.3666 |
| logSw: | -5.646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.958 |
| InChI Key: | AJHRYXJYNUHBHQ-MHZLTWQESA-N |