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1201784-83-9 | 1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-(phenylmethyl)-, ethyl ester
CAS No: 1201784-83-9 Catalog No: AG000QHW MDL No:
Product Description
Catalog Number:
AG000QHW
Chemical Name:
1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-(phenylmethyl)-, ethyl ester
CAS Number:
1201784-83-9
Molecular Formula:
C17H20N2O2
Molecular Weight:
284.3529
IUPAC Name:
ethyl 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-2-carboxylate
InChI:
InChI=1S/C17H20N2O2/c1-2-21-17(20)16-10-14-12-19(9-8-15(14)18-16)11-13-6-4-3-5-7-13/h3-7,10,18H,2,8-9,11-12H2,1H3
InChI Key:
IJCZULYFRPFQKN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)CCN(C2)Cc1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.359g/mol
Monoisotopic Mass:
284.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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