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1422141-19-2 | N-[(3S,3aS,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
CAS No: 1422141-19-2 Catalog No: AG01DHNB MDL No:
Product Description
Catalog Number:
AG01DHNB
Chemical Name:
N-[(3S,3aS,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
CAS Number:
1422141-19-2
Molecular Formula:
C12H18N4O2
Molecular Weight:
250.2969
IUPAC Name:
N-[(3S,3aS,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]-1-methylimidazole-2-carboxamide
InChI:
InChI=1S/C12H18N4O2/c1-16-5-4-13-11(16)12(17)15-9-7-14-8-3-2-6-18-10(8)9/h4-5,8-10,14H,2-3,6-7H2,1H3,(H,15,17)/t8-,9+,10+/m1/s1
InChI Key:
JZLFBXNWMQTWQU-UTLUCORTSA-N
SMILES:
O=C(c1nccn1C)N[C@H]1CN[C@H]2[C@@H]1OCCC2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
250.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.302g/mol
Monoisotopic Mass:
250.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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