11-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5236-0392 |
| Compound Name: | 11-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 490.55 |
| Molecular Formula: | C29 H28 F2 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(COc4ccc(cc4F)F)c3)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6673 |
| logD: | 5.6568 |
| logSw: | -5.5212 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.693 |
| InChI Key: | KVWGTAFULATILC-NDEPHWFRSA-N |