7-benzoyl-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
7-benzoyl-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7-benzoyl-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3805-1499 |
| Compound Name: | 7-benzoyl-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 522.69 |
| Molecular Formula: | C34 H38 N2 O3 |
| Smiles: | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1C2=C(CCCC2=O)Nc2cc(ccc2N1)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6733 |
| logD: | 7.6528 |
| logSw: | -5.5856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.694 |
| InChI Key: | OTKXGLFDIDVGKX-PMERELPUSA-N |