11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y600-1359 |
| Compound Name: | 11-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C33 H37 F N2 O2 |
| Smiles: | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.9494 |
| logD: | 7.9331 |
| logSw: | -5.5828 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 51.956 |
| InChI Key: | XNDBWXFDQLTAQL-UHFFFAOYSA-N |