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63123-23-9 | 5-[(3-ethyl-(3H)-benzoxazol-2-ylidene)ethylidene]-3-heptyl-2-thioxooxazolidine-4-one
CAS No: 63123-23-9 Catalog No: AG00ETTI MDL No:
Product Description
Catalog Number:
AG00ETTI
Chemical Name:
5-[(3-ethyl-(3H)-benzoxazol-2-ylidene)ethylidene]-3-heptyl-2-thioxooxazolidine-4-one
CAS Number:
63123-23-9
IUPAC Name:
5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-heptyl-2-sulfanylidene-1,3-oxazolidin-4-one
InChI:
InChI=1S/C21H26N2O3S/c1-3-5-6-7-10-15-23-20(24)18(26-21(23)27)13-14-19-22(4-2)16-11-8-9-12-17(16)25-19/h8-9,11-14H,3-7,10,15H2,1-2H3
InChI Key:
MYVBWGAQWCPQTP-UHFFFAOYSA-N
EC Number:
263-872-3
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.166g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.51g/mol
Monoisotopic Mass:
386.166g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6
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