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1420478-87-0 | 1-Pyrrolidinecarboxylic acid, 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-, phenylmethyl ester, (2S)-
CAS No: 1420478-87-0 Catalog No: AG001HMB MDL No:
Product Description
Catalog Number:
AG001HMB
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)-, phenylmethyl ester, (2S)-
CAS Number:
1420478-87-0
Molecular Formula:
C18H16BrClN4O2
Molecular Weight:
435.7022
IUPAC Name:
benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C18H16BrClN4O2/c19-15-14-16(20)21-8-10-24(14)17(22-15)13-7-4-9-23(13)18(25)26-11-12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2/t13-/m0/s1
InChI Key:
BQNYTGLJPKJADU-ZDUSSCGKSA-N
SMILES:
O=C(N1CCC[C@H]1c1nc(c2n1ccnc2Cl)Br)OCc1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
434.015g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.706g/mol
Monoisotopic Mass:
434.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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