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Naroparcil

CAT: 0127-BUP08018-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08018-06Size:200 mg
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CAS Number
120819-70-7
Purity
=98%
Smiles
S(C1=CC=C(C(=O)C2=CC=C(C#N)C=C2)C=C1)[C@H]3[C@H](O)[C@@H](O)[C@H](O)CS3

Chemical Information

Naroparcil

Naroparcil is a small molecule drug. Naroparcil has a monoisotopic molecular weight of 387.06 Da.

CAS Number120819-70-7
PubChem CID3047782
IUPAC Name4-[4-[(2S,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]sulfanylbenzoyl]benzonitrile
Molecular FormulaC19H17NO4S2
Molecular Weight387.5
XLogP2.2
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity535
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](S1)SC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C#N)O)O)O
InChI
InChI=1S/C19H17NO4S2/c20-9-11-1-3-12(4-2-11)16(22)13-5-7-14(8-6-13)26-19-18(24)17(23)15(21)10-25-19/h1-8,15,17-19,21,23-24H,10H2/t15-,17+,18-,19+/m1/s1
InChIKey
IMAFEPKOGMHYNH-LULLPPNCSA-N
Chemical Structure
2D Structure
2D structure of Naroparcil
CAS: 120819-70-7
CID: 3047782
Formula: C19H17NO4S2
MW: 387.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass387.05990037
Monoisotopic Mass387.05990037
Topological Polar Surface Area152 Ų
Heavy Atom Count26
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5810563Naroparcil
M36131-01(R) -Naroparcil
HY-167736-01(2R) -Naroparcil
MBS5810564(R)-Naroparcil

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