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Home > Imidazoles > 1422141-92-1
1422141-92-1 | tert-butyl (tetrahydro-2H-pyran-4-yl)((6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-yl)methyl)carbamate
CAS No: 1422141-92-1 Catalog No: AG01DFNM MDL No:
Product Description
Catalog Number:
AG01DFNM
Chemical Name:
tert-butyl (tetrahydro-2H-pyran-4-yl)((6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-yl)methyl)carbamate
CAS Number:
1422141-92-1
Molecular Formula:
C18H30N4O3
Molecular Weight:
350.4558
IUPAC Name:
tert-butyl N-(oxan-4-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethyl)carbamate
InChI:
InChI=1S/C18H30N4O3/c1-18(2,3)25-17(23)22(14-5-9-24-10-6-14)12-15-16-11-19-7-4-8-21(16)13-20-15/h13-14,19H,4-12H2,1-3H3
InChI Key:
IAJHVUVCLOSAFX-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCOCC1)Cc1ncn2c1CNCCC2)OC(C)(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.232g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.463g/mol
Monoisotopic Mass:
350.232g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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