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1131148-23-6 | tert-Butyl N-(1H-1,2,3-benzotriazol-1-ylmethyl)-N-(pyridin-3-ylmethyl)carbamate
CAS No: 1131148-23-6 Catalog No: AG01F3X7 MDL No:
Product Description
Catalog Number:
AG01F3X7
Chemical Name:
tert-Butyl N-(1H-1,2,3-benzotriazol-1-ylmethyl)-N-(pyridin-3-ylmethyl)carbamate
CAS Number:
1131148-23-6
Molecular Formula:
C18H21N5O2
Molecular Weight:
339.3916
IUPAC Name:
tert-butyl N-(benzotriazol-1-ylmethyl)-N-(pyridin-3-ylmethyl)carbamate
InChI:
InChI=1S/C18H21N5O2/c1-18(2,3)25-17(24)22(12-14-7-6-10-19-11-14)13-23-16-9-5-4-8-15(16)20-21-23/h4-11H,12-13H2,1-3H3
InChI Key:
KVZVRXFNRHFICN-UHFFFAOYSA-N
SMILES:
O=C(N(Cn1nnc2c1cccc2)Cc1cccnc1)OC(C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.399g/mol
Monoisotopic Mass:
339.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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