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ASN 04457791 N-[4-(4-chlorophenyl)-1,,3-thiazol-2-yl]-4-methoxy-N-(3-m

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摘 要:ASN 04457791 N-[4-(4-chlorophenyl)-1,,3-thiazol-2-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide,Canonical SMILES: COC1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl,InChI: InChI=1/C24H26ClN3O3S/c1-30-21-9-5-19(6-10-21)23(29)28(12-2-11-2
[Synonyms]
ASN 04457791
[Structure]
ASN 04457791 N-[4-(4-chlorophenyl)-1,,3-thiazol-2-yl]-4-methoxy-N-(3-m

[ Properties Computed from Structure]
Molecular Weight471.99954 [g/mol]
Molecular FormulaC24H26ClN3O3S
XLogP4.3
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count8
Exact Mass471.13834
MonoIsotopic Mass471.13834
Topological Polar Surface Area54.9
Heavy Atom Count32
Formal Charge0
Complexity579
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: N-[4-(4-chlorophenyl)-1,
3-thiazol-2-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
Canonical SMILES: COC1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl
InChI: InChI=1/C24H26ClN3O3S/c1-30-21-9-5-19(6-10-21)23(29)28(12-2-11-27-13-15-
31-16-14-27)24-26-22(17-32-24)18-3-7-20(25)8-4-18/h3-10,17H,2,11-16H2,
1H3

 
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