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SBI-477

CAT: 0926-GGB62899-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-GGB62899-02Size:10 mg
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CAS Number
781628-99-7
Smiles
COC1=CC=C (C=C1) C2=CSC (=N2) NC (=O) C3=CC (=C (C=C3) OCC (=O) N4CCOCC4) OC
Molecular Formula
C24H25N3O6S
Molecular Weight
483.5 g/mol
Controlled
No

Chemical Information

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CAS Number781628-99-7
PubChem CID2469116
IUPAC Name3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
Molecular FormulaC24H25N3O6S
Molecular Weight483.5
XLogP2.9
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity671
SMILES
COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)OCC(=O)N4CCOCC4)OC
InChI
InChI=1S/C24H25N3O6S/c1-30-18-6-3-16(4-7-18)19-15-34-24(25-19)26-23(29)17-5-8-20(21(13-17)31-2)33-14-22(28)27-9-11-32-12-10-27/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,26,29)
InChIKey
SJPVXFZDWAIFFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CAS: 781628-99-7
CID: 2469116
Formula: C24H25N3O6S
MW: 483.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight483.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass483.14640670
Monoisotopic Mass483.14640670
Topological Polar Surface Area127 Ų
Heavy Atom Count34
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes