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20958-80-9 | Pyrrolo[2,1-a]isoquinoline-2-carboxylic acid, 1,3-diphenyl-, ethyl ester
CAS No: 20958-80-9 Catalog No: AG002KBL MDL No:
Product Description
Catalog Number:
AG002KBL
Chemical Name:
Pyrrolo[2,1-a]isoquinoline-2-carboxylic acid, 1,3-diphenyl-, ethyl ester
CAS Number:
20958-80-9
Molecular Formula:
C27H21NO2
Molecular Weight:
391.4611
IUPAC Name:
ethyl 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxylate
InChI:
InChI=1S/C27H21NO2/c1-2-30-27(29)24-23(20-12-5-3-6-13-20)26-22-16-10-9-11-19(22)17-18-28(26)25(24)21-14-7-4-8-15-21/h3-18H,2H2,1H3
InChI Key:
ZTOXUNYNBLFSBB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(c2ccccc2)n2c(c1c1ccccc1)c1ccccc1cc2
NSC Number:
131482
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.157g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.47g/mol
Monoisotopic Mass:
391.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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