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AZD3264

CAT: 0127-BUP07115-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07115-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1609281-86-8
Purity
=98%
Smiles
Cc1noc(C)c1-c1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)c(O[C@H]2CCNC2)c1

Chemical Information

3-Thiophenecarboxamide, 2-((aminocarbonyl)amino)-5-(4-(3,5-dimethyl-4-isoxazolyl)-2-((3S)-3-pyrrolidinyloxy)phenyl)-
CAS Number1609281-86-8
PubChem CID91666658
IUPAC Name2-(carbamoylamino)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]oxyphenyl]thiophene-3-carboxamide
Molecular FormulaC21H23N5O4S
Molecular Weight441.5
XLogP2.2
Topological Polar Surface Area174
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity670
SMILES
CC1=C(C(=NO1)C)C2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)O[C@H]4CCNC4
InChI
InChI=1S/C21H23N5O4S/c1-10-18(11(2)30-26-10)12-3-4-14(16(7-12)29-13-5-6-24-9-13)17-8-15(19(22)27)20(31-17)25-21(23)28/h3-4,7-8,13,24H,5-6,9H2,1-2H3,(H2,22,27)(H3,23,25,28)/t13-/m0/s1
InChIKey
NMFIXEFNQPDISY-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 3-Thiophenecarboxamide, 2-((aminocarbonyl)amino)-5-(4-(3,5-dimethyl-4-isoxazolyl)-2-((3S)-3-pyrrolidinyloxy)phenyl)-
CAS: 1609281-86-8
CID: 91666658
Formula: C21H23N5O4S
MW: 441.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass441.14707541
Monoisotopic Mass441.14707541
Topological Polar Surface Area174 Ų
Heavy Atom Count31
Formal Charge0
Complexity670
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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