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ASN 03572826 3,4,5-trimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1

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摘 要:ASN 03572826 3,4,5-trimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,,3-thiazol-2-yl)benzamide,Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N(CCCN2CCOCC2)C3=NC(=CS3)C4=CC=CC=C4,InChI: InChI=1/C26H31N3O5S/c1-31-22-16-20(17-23(32-2)24(22)33-3)25(30)29
[Synonyms]
ASN 03572826
[Structure]
ASN 03572826 3,4,5-trimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1

[ Properties Computed from Structure]
Molecular Weight497.60644 [g/mol]
Molecular FormulaC26H31N3O5S
XLogP3.1
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count10
Exact Mass497.198442
MonoIsotopic Mass497.198442
Topological Polar Surface Area73.4
Heavy Atom Count35
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3,4,5-trimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,
3-thiazol-2-yl)benzamide
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N(CCCN2CCOCC2)C3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1/C26H31N3O5S/c1-31-22-16-20(17-23(32-2)24(22)33-3)25(30)29(11-7-
10-28-12-14-34-15-13-28)26-27-21(18-35-26)19-8-5-4-6-9-19/h4-6,8-9,
16-18H,7,10-15H2,1-3H3

 
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