3-(4-chlorophenyl)-11-(3-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-11-(3-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-(3-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | 3064-5082 |
Compound Name: | 3-(4-chlorophenyl)-11-(3-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 444.96 |
Molecular Formula: | C27 H25 Cl N2 O2 |
Smiles: | CCOc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc2N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.378 |
logD: | 6.3617 |
logSw: | -6.4487 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 43.6 |
InChI Key: | HFWYMXXBUFGSLR-UHFFFAOYSA-N |