7-benzoyl-11-(3-ethoxy-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-ethoxy-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7-benzoyl-11-(3-ethoxy-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3585-0226 |
| Compound Name: | 7-benzoyl-11-(3-ethoxy-4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C28 H26 N2 O4 |
| Smiles: | CCOc1cc(ccc1O)C1C2=C(CCCC2=O)Nc2cc(ccc2N1)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8932 |
| logD: | 4.8726 |
| logSw: | -4.304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.974 |
| InChI Key: | HBORTIMBHXEJPZ-MHZLTWQESA-N |