Text Search
Structure Search

4-tert-butyl-2-({[2-({[5-tert-butyl-2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene}amino)cyclohexyl]imino}methyl)-6-(piperidin-1-ylmethyl)phenol

4-tert-butyl-2-({[2-({[5-tert-butyl-2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene}amino)cyclohexyl]imino}methyl)-6-(piperidin-1-ylmethyl)phenol

Formula: C40H60N4O2

SMILES: CC(C)(C)C1=CC(CN2CCCCC2)=C(O)C(C=NC2CCCCC2N=CC2=CC(=CC(CN3CCCCC3)=C2O)C(C)(C)C)=C1

IUPAC: 4-tert-butyl-2-[({2-[({5-tert-butyl-2-hydroxy-3-[(piperidin-1-yl)methyl]phenyl}methylidene)amino]cyclohexyl}imino)methyl]-6-[(piperidin-1-yl)methyl]phenol

InChI: InChI=1/C40H60N4O2/c1-39(2,3)33-21-29(37(45)31(23-33)27-43-17-11-7-12-18-43)25-41-35-15-9-10-16-36(35)42-26-30-22-34(40(4,5)6)24-32(38(30)46)28-44-19-13-8-14-20-44/h21-26,35-36,45-46H,7-20,27-28H2,1-6H3

Composition: C (76.39%), H (9.62%), N (8.91%), O (5.09%)

Molar Mass: 628.946

Atom Count: 106

Heavy Atom Count: 46

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 628.471627188
Formal Charge 0
FSP3 0.65
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey QWZFCHMBYWXSLV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 195.97
Topological Polar Surface Area 71.66
Polarizability 74.88
Ring Count 5
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C40H60N4O2 Quote Only
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C40H60N4O2 Quote Only