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1217605-72-5 | 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(5-bromopentyl)hexahydro-2-oxo-, (3aR,4R,6aS)-rel-
CAS No: 1217605-72-5 Catalog No: AG0015TI MDL No:
Product Description
Catalog Number:
AG0015TI
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(5-bromopentyl)hexahydro-2-oxo-, (3aR,4R,6aS)-rel-
CAS Number:
1217605-72-5
Molecular Formula:
C15H26BrN3O2S
Molecular Weight:
392.3548
IUPAC Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(5-bromopentyl)pentanamide
InChI:
InChI=1S/C15H26BrN3O2S/c16-8-4-1-5-9-17-13(20)7-3-2-6-12-14-11(10-22-12)18-15(21)19-14/h11-12,14H,1-10H2,(H,17,20)(H2,18,19,21)/t11-,12-,14-/m0/s1
InChI Key:
BBMKEQZLWUFNDA-OBJOEFQTSA-N
SMILES:
BrCCCCCNC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
391.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
392.356g/mol
Monoisotopic Mass:
391.093g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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