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1955493-46-5 | tert-butyl N-{2-[(2-methylquinolin-6-yl)methyl]-3-oxopropyl}carbamate
CAS No: 1955493-46-5 Catalog No: AG01BEWA MDL No:MFCD28063809
Product Description
Catalog Number:
AG01BEWA
Chemical Name:
tert-butyl N-{2-[(2-methylquinolin-6-yl)methyl]-3-oxopropyl}carbamate
CAS Number:
1955493-46-5
Molecular Formula:
C19H24N2O3
Molecular Weight:
328.4055
MDL Number:
MFCD28063809
IUPAC Name:
tert-butyl N-[2-formyl-3-(2-methylquinolin-6-yl)propyl]carbamate
InChI:
InChI=1S/C19H24N2O3/c1-13-5-7-16-10-14(6-8-17(16)21-13)9-15(12-22)11-20-18(23)24-19(2,3)4/h5-8,10,12,15H,9,11H2,1-4H3,(H,20,23)
InChI Key:
ZQYDNRLSMVTQNA-UHFFFAOYSA-N
SMILES:
O=CC(Cc1ccc2c(c1)ccc(n2)C)CNC(=O)OC(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.412g/mol
Monoisotopic Mass:
328.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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