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89587-59-7 | Propanedioic acid, [(2-thiazolylamino)methylene]-, dihexyl ester
CAS No: 89587-59-7 Catalog No: AG003XEM MDL No:
Product Description
Catalog Number:
AG003XEM
Chemical Name:
Propanedioic acid, [(2-thiazolylamino)methylene]-, dihexyl ester
CAS Number:
89587-59-7
Molecular Formula:
C19H30N2O4S
Molecular Weight:
382.5175
IUPAC Name:
dihexyl 2-[(1,3-thiazol-2-ylamino)methylidene]propanedioate
InChI:
InChI=1S/C19H30N2O4S/c1-3-5-7-9-12-24-17(22)16(15-21-19-20-11-14-26-19)18(23)25-13-10-8-6-4-2/h11,14-15H,3-10,12-13H2,1-2H3,(H,20,21)
InChI Key:
RXIPWTNCUZZPNY-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(=CNc1nccs1)C(=O)OCCCCCC
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.193g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.519g/mol
Monoisotopic Mass:
382.193g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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