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SCH 563705 50mg

CAT: 0628-A15234-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A15234-50Size:50 mg
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CAS Number
473728-58-4

Chemical Information

3-[[3-[(Dimethylamino)carbonyl]-2-hydroxyphenyl]amino]-4-[[(R)-1-(4-isopropylfuran-2-YL)propyl]amino]cyclobut-3-ene-1,2-dione
CAS Number473728-58-4
PubChem CID10310100
IUPAC Name3-[[3,4-dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular FormulaC23H27N3O5
Molecular Weight425.5
XLogP3.8
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity747
SMILES
CC[C@H](C1=CC(=CO1)C(C)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
InChI
InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
InChIKey
DGKQQEVYYPCMNE-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of 3-[[3-[(Dimethylamino)carbonyl]-2-hydroxyphenyl]amino]-4-[[(R)-1-(4-isopropylfuran-2-YL)propyl]amino]cyclobut-3-ene-1,2-dione
CAS: 473728-58-4
CID: 10310100
Formula: C23H27N3O5
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass425.19507097
Monoisotopic Mass425.19507097
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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