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104604-59-3 | 2-Pyrrolidinemethanol,1-[(7-oxo-8-phenyl-7H-thieno[2,3-a]quinolizin-10-yl)carbonyl]-, (R)- (9CI)
CAS No: 104604-59-3 Catalog No: AG0085TO MDL No:
Product Description
Catalog Number:
AG0085TO
Chemical Name:
2-Pyrrolidinemethanol,1-[(7-oxo-8-phenyl-7H-thieno[2,3-a]quinolizin-10-yl)carbonyl]-, (R)- (9CI)
CAS Number:
104604-59-3
Molecular Formula:
C23H20N2O3S
Molecular Weight:
404.4815
IUPAC Name:
10-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-8-phenylthieno[2,3-a]quinolizin-7-one
InChI:
InChI=1S/C23H20N2O3S/c26-14-17-7-4-10-24(17)23(28)19-13-18(15-5-2-1-3-6-15)22(27)25-11-8-16-9-12-29-21(16)20(19)25/h1-3,5-6,8-9,11-13,17,26H,4,7,10,14H2
InChI Key:
UBUSBVSRCKDQNL-UHFFFAOYSA-N
SMILES:
OCC1CCCN1C(=O)c1cc(c2ccccc2)c(=O)n2c1c1sccc1cc2
Properties
Complexity:
796
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.119g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.484g/mol
Monoisotopic Mass:
404.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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