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1258639-35-8 | tert-butyl N-(1-carbamoyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CAS No: 1258639-35-8 Catalog No: AG019RJS MDL No:MFCD17977208
Product Description
Catalog Number:
AG019RJS
Chemical Name:
tert-butyl N-(1-carbamoyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CAS Number:
1258639-35-8
Molecular Formula:
C15H21N3O3
Molecular Weight:
291.3455
MDL Number:
MFCD17977208
IUPAC Name:
tert-butyl N-(1-carbamoyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
InChI:
InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-11-6-4-5-10-9(11)7-8-17-12(10)13(16)19/h4-6,12,17H,7-8H2,1-3H3,(H2,16,19)(H,18,20)
InChI Key:
NVESSMAPOXXKKB-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1CCNC2C(=O)N)OC(C)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.351g/mol
Monoisotopic Mass:
291.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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