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104123-95-7 | 4-Thiazolidinone,3-(4-morpholinylmethyl)-2-(phenylimino)-5-(3-phenyl-2-propen-1-ylidene)-
CAS No: 104123-95-7 Catalog No: AG007EQK MDL No:
Product Description
Catalog Number:
AG007EQK
Chemical Name:
4-Thiazolidinone,3-(4-morpholinylmethyl)-2-(phenylimino)-5-(3-phenyl-2-propen-1-ylidene)-
CAS Number:
104123-95-7
Molecular Formula:
C23H23N3O2S
Molecular Weight:
405.5126
IUPAC Name:
5-cinnamylidene-3-(morpholin-4-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C23H23N3O2S/c27-22-21(13-7-10-19-8-3-1-4-9-19)29-23(24-20-11-5-2-6-12-20)26(22)18-25-14-16-28-17-15-25/h1-13H,14-18H2
InChI Key:
RXLGUMNRTMKLOE-UHFFFAOYSA-N
SMILES:
O=C1C(=CC=Cc2ccccc2)SC(=Nc2ccccc2)N1CN1CCOCC1
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.151g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.516g/mol
Monoisotopic Mass:
405.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.6
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