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UC-38

CAT: 0013-GTR19273618-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273618-02Size:50 mg
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Description
UC-38 (NSC-629243) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) with anti-HIV activity.
CAS Number
135812-34-9
Smiles
O=C (OC (C) C) C1=CC (=CC=C1Cl) NC (=S) OC (C) C
Molecular Formula
C14H18ClNO3S
Molecular Weight
315.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

UC-38
CAS Number135812-34-9
PubChem CID3000477
IUPAC Namepropan-2-yl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
Molecular FormulaC14H18ClNO3S
Molecular Weight315.8
XLogP4.2
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity349
SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)C)Cl
InChI
InChI=1S/C14H18ClNO3S/c1-8(2)18-13(17)11-7-10(5-6-12(11)15)16-14(20)19-9(3)4/h5-9H,1-4H3,(H,16,20)
InChIKey
AXTNFJKQZPETJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UC-38
CAS: 135812-34-9
CID: 3000477
Formula: C14H18ClNO3S
MW: 315.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.8
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass315.0695923
Monoisotopic Mass315.0695923
Topological Polar Surface Area79.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity349
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

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