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67603-38-7 | (6S)-3-[(Z)-[2-(3-Methyl-2-butenyl)-1H-imidazol-4-yl]methylene]-6α-(1-methylethyl)piperazine-2,5-dione
CAS No: 67603-38-7 Catalog No: AG00FYOU MDL No:
Product Description
Catalog Number:
AG00FYOU
Chemical Name:
(6S)-3-[(Z)-[2-(3-Methyl-2-butenyl)-1H-imidazol-4-yl]methylene]-6α-(1-methylethyl)piperazine-2,5-dione
CAS Number:
67603-38-7
IUPAC Name:
(3Z,6S)-3-[[2-(3-methylbut-2-enyl)-1H-imidazol-5-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
InChI:
InChI=1S/C16H22N4O2/c1-9(2)5-6-13-17-8-11(18-13)7-12-15(21)20-14(10(3)4)16(22)19-12/h5,7-8,10,14H,6H2,1-4H3,(H,17,18)(H,19,22)(H,20,21)/b12-7-/t14-/m0/s1
InChI Key:
CQRQHABGNBHMFC-VDBIKXPHSA-N
UNII:
74WJZ6CN5Z
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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