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92924-45-3 | (3S,4S,6R)-5-{2-Oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}-N-(prop-2-en-1-yl)pentanamide
CAS No: 92924-45-3 Catalog No: AG00H0B4 MDL No:
Product Description
Catalog Number:
AG00H0B4
Chemical Name:
(3S,4S,6R)-5-{2-Oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}-N-(prop-2-en-1-yl)pentanamide
CAS Number:
92924-45-3
Molecular Formula:
C13H21N3O2S
Molecular Weight:
283.3897
IUPAC Name:
5-[(3aS,4S,6aR)-2-methylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-prop-2-enylpentanamide
InChI:
InChI=1S/C14H23N3OS/c1-3-8-15-13(18)7-5-4-6-12-14-11(9-19-12)16-10(2)17-14/h3,11-12,14,16-17H,1-2,4-9H2,(H,15,18)/t11-,12-,14-/m0/s1
InChI Key:
JSIDZZBYMCDELN-OBJOEFQTSA-N
SMILES:
C=CCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
281.156g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.418g/mol
Monoisotopic Mass:
281.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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