11-(4-chlorophenyl)-3,3-dimethyl-10-[2-oxo-2-(piperidin-1-yl)ethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-chlorophenyl)-3,3-dimethyl-10-[2-oxo-2-(piperidin-1-yl)ethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-chlorophenyl)-3,3-dimethyl-10-[2-oxo-2-(piperidin-1-yl)ethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | Y600-4107 |
Compound Name: | 11-(4-chlorophenyl)-3,3-dimethyl-10-[2-oxo-2-(piperidin-1-yl)ethyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 478.03 |
Molecular Formula: | C28 H32 Cl N3 O2 |
Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])N(CC(N3CCCCC3)=O)c3ccccc3N2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3758 |
logD: | 5.3559 |
logSw: | -6.0255 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.973 |
InChI Key: | CYONLOZIFNOTMW-MHZLTWQESA-N |