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BAQ

CAS No.:
91853-89-3
Catalog Number:
AG006DC6
Molecular Formula:
C19H22N4O2S
Molecular Weight:
370.4686
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Product Description
Catalog Number:
AG006DC6
Chemical Name:
BAQ
CAS Number:
91853-89-3
Molecular Formula:
C19H22N4O2S
Molecular Weight:
370.4686
MDL Number:
MFCD00063390
IUPAC Name:
5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-quinolin-6-ylpentanamide
InChI:
InChI=1S/C19H22N4O2S/c24-17(21-13-7-8-14-12(10-13)4-3-9-20-14)6-2-1-5-16-18-15(11-26-16)22-19(25)23-18/h3-4,7-10,15-16,18H,1-2,5-6,11H2,(H,21,24)(H2,22,23,25)/t15-,16-,18-/m1/s1
InChI Key:
LQDCDPSBDPBXMX-JFIYKMOQSA-N
SMILES:
O=C(Nc1ccc2c(c1)cccn2)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
370.146g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
370.471g/mol
Monoisotopic Mass:
370.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties