3-(4-tert-butylphenyl)-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-tert-butylphenyl)-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-6692 |
| Compound Name: | 3-(4-tert-butylphenyl)-11-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 660.92 |
| Molecular Formula: | C42 H48 N2 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)N(C(c3cccs3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 11.0081 |
| logD: | 10.964 |
| logSw: | -5.4832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.391 |
| InChI Key: | PBWAOCFLQXGNPZ-UHFFFAOYSA-N |