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136468-89-8 | Phenol, 4-[2-[[2-(dimethylamino)ethyl](3-pyridinylmethyl)amino]-4-thiazolyl]-2,6-bis(1,1-dimethylethyl)-
CAS No: 136468-89-8 Catalog No: AG0011WG MDL No:
Product Description
Catalog Number:
AG0011WG
Chemical Name:
Phenol, 4-[2-[[2-(dimethylamino)ethyl](3-pyridinylmethyl)amino]-4-thiazolyl]-2,6-bis(1,1-dimethylethyl)-
CAS Number:
136468-89-8
Molecular Formula:
C27H38N4OS
Molecular Weight:
466.6818
IUPAC Name:
2,6-ditert-butyl-4-[2-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-1,3-thiazol-4-yl]phenol
InChI:
InChI=1S/C27H38N4OS/c1-26(2,3)21-14-20(15-22(24(21)32)27(4,5)6)23-18-33-25(29-23)31(13-12-30(7)8)17-19-10-9-11-28-16-19/h9-11,14-16,18,32H,12-13,17H2,1-8H3
InChI Key:
OIKOWHLZKUWDMH-UHFFFAOYSA-N
SMILES:
CN(CCN(c1scc(n1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cccnc1)C
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.277g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.688g/mol
Monoisotopic Mass:
466.277g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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