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141209-66-7 | 2(5H)-Thiazolone, 5-[[4-(diethylamino)ethoxyphenyl]imino]-4-phenyl- (9CI)
CAS No: 141209-66-7 Catalog No: AG001G1Y MDL No:
Product Description
Catalog Number:
AG001G1Y
Chemical Name:
2(5H)-Thiazolone, 5-[[4-(diethylamino)ethoxyphenyl]imino]-4-phenyl- (9CI)
CAS Number:
141209-66-7
Molecular Formula:
C21H23N3O2S
Molecular Weight:
381.4912
IUPAC Name:
5-[4-[2-(diethylamino)ethoxy]phenyl]imino-4-phenyl-1,3-thiazol-2-one
InChI:
InChI=1S/C21H23N3O2S/c1-3-24(4-2)14-15-26-18-12-10-17(11-13-18)22-20-19(23-21(25)27-20)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
InChI Key:
DXDMNMUAPYAYQW-UHFFFAOYSA-N
SMILES:
CCN(CCOc1ccc(cc1)N=C1SC(=O)N=C1c1ccccc1)CC
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.494g/mol
Monoisotopic Mass:
381.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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