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MIV-150 10mg

CAT: 0628-A12060-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12060-10Size:10 mg
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CAS Number
231957-54-3

Chemical Information

Miv 150

structure in first source

CAS Number231957-54-3
PubChem CID9907284
IUPAC Name1-(5-cyano-2-pyridinyl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
Molecular FormulaC19H17FN4O3
Molecular Weight368.4
XLogP2.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity621
SMILES
CCC(=O)C1=C(C(=C(C=C1)F)[C@@H]2C[C@@H]2NC(=O)NC3=NC=C(C=C3)C#N)O
InChI
InChI=1S/C19H17FN4O3/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27)/t12-,14+/m1/s1
InChIKey
NKPHEWJJTGPRSL-OCCSQVGLSA-N
Chemical Structure
2D Structure
2D structure of Miv 150
CAS: 231957-54-3
CID: 9907284
Formula: C19H17FN4O3
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass368.12846858
Monoisotopic Mass368.12846858
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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