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721408-01-1 | 3-benzyl-4-(chloromethyl)-N-(4-methoxyphenyl)-2,3-dihydro-1,3-thiazol-2-imine
CAS No: 721408-01-1 Catalog No: AG01FI75 MDL No:
Product Description
Catalog Number:
AG01FI75
Chemical Name:
3-benzyl-4-(chloromethyl)-N-(4-methoxyphenyl)-2,3-dihydro-1,3-thiazol-2-imine
CAS Number:
721408-01-1
Molecular Formula:
C18H17ClN2OS
Molecular Weight:
344.8584
IUPAC Name:
3-benzyl-4-(chloromethyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
InChI:
InChI=1S/C18H17ClN2OS/c1-22-17-9-7-15(8-10-17)20-18-21(16(11-19)13-23-18)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3
InChI Key:
CIUZMUDSHQDEPC-UHFFFAOYSA-N
SMILES:
ClCc1csc(=Nc2ccc(cc2)OC)n1Cc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.857g/mol
Monoisotopic Mass:
344.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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