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Oprea1_117389,Oprea1_865178,ASN 03431964, 4-chloro-N-[4-(2,5-dimethoxy

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摘 要:Oprea1_117389,Oprea1_865178,ASN 03431964, 4-chloro-N-[4-(2,5-dimethoxyphenyl)-1,,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide,Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)Cl,InChI: InChI=1/C25H28ClN3O4S/c1-31
[Synonyms]
Oprea1_117389
Oprea1_865178
ASN 03431964

[Structure]
Oprea1_117389,Oprea1_865178,ASN 03431964, 4-chloro-N-[4-(2,5-dimethoxy

[ Properties Computed from Structure]
Molecular Weight502.02552 [g/mol]
Molecular FormulaC25H28ClN3O4S
XLogP4.2
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count9
Exact Mass501.148905
MonoIsotopic Mass501.148905
Topological Polar Surface Area64.1
Heavy Atom Count34
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: 4-chloro-N-[4-(2,5-dimethoxyphenyl)-1,
3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
Canonical SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)Cl
InChI: InChI=1/C25H28ClN3O4S/c1-31-20-8-9-23(32-2)21(16-20)22-17-34-25(27-22)29
(11-3-10-28-12-14-33-15-13-28)24(30)18-4-6-19(26)7-5-18/h4-9,16-17H,3,
10-15H2,1-2H3

 
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