11-(5-bromo-2-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(5-bromo-2-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(5-bromo-2-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 2729-1015 |
| Compound Name: | 11-(5-bromo-2-hydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 413.31 |
| Molecular Formula: | C21 H21 Br N2 O2 |
| Smiles: | CC1(C)CC2=C(C(c3cc(ccc3O)[Br])Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7206 |
| logD: | 4.7101 |
| logSw: | -4.2328 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 53.296 |
| InChI Key: | FYUBFNFERQTIQD-FQEVSTJZSA-N |