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71079-57-7 | 1-CYCLOPENTYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS No: 71079-57-7 Catalog No: AG0060U1 MDL No:
Product Description
Catalog Number:
AG0060U1
Chemical Name:
1-CYCLOPENTYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS Number:
71079-57-7
Molecular Formula:
C19H21N5S
Molecular Weight:
351.4685
IUPAC Name:
2-cyclopentyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C19H21N5S/c1-13-12-17(15-8-4-5-9-16(15)21-13)23-18(22-14-6-2-3-7-14)24-19-20-10-11-25-19/h4-5,8-12,14H,2-3,6-7H2,1H3,(H2,20,21,22,23,24)
InChI Key:
RIKFPNXOGXBTHV-UHFFFAOYSA-N
SMILES:
Cc1cc(N=C(Nc2nccs2)NC2CCCC2)c2c(n1)cccc2
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.472g/mol
Monoisotopic Mass:
351.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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