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1422063-09-9 | tert-butyl cyclopentyl((6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-yl)methyl)carbamate
CAS No: 1422063-09-9 Catalog No: AG01DFG5 MDL No:
Product Description
Catalog Number:
AG01DFG5
Chemical Name:
tert-butyl cyclopentyl((6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-yl)methyl)carbamate
CAS Number:
1422063-09-9
Molecular Formula:
C18H30N4O2
Molecular Weight:
334.4564
IUPAC Name:
tert-butyl N-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepin-1-ylmethyl)carbamate
InChI:
InChI=1S/C18H30N4O2/c1-18(2,3)24-17(23)22(14-7-4-5-8-14)12-15-16-11-19-9-6-10-21(16)13-20-15/h13-14,19H,4-12H2,1-3H3
InChI Key:
NDYHISWTIJSWDX-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCC1)Cc1ncn2c1CNCCC2)OC(C)(C)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.237g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.464g/mol
Monoisotopic Mass:
334.237g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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