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918423-93-5 | Phenol, 2-[[(2-pyridinylmethyl)(2-thienylmethyl)amino]methyl]-
CAS No: 918423-93-5 Catalog No: AG006F7E MDL No:
Product Description
Catalog Number:
AG006F7E
Chemical Name:
Phenol, 2-[[(2-pyridinylmethyl)(2-thienylmethyl)amino]methyl]-
CAS Number:
918423-93-5
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
IUPAC Name:
2-[[pyridin-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]phenol
InChI:
InChI=1S/C18H18N2OS/c21-18-9-2-1-6-15(18)12-20(14-17-8-5-11-22-17)13-16-7-3-4-10-19-16/h1-11,21H,12-14H2
InChI Key:
DUTNVAGHSPVHTE-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CN(Cc1cccs1)Cc1ccccn1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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