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Cabotegravir Impurity 32

CAT: 1299-RM-C327532-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C327532-01Size:10 mg
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CAS Number
2883234-41-9
Synonyms
(3S,11aR) -N-benzyl-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide
Molecular Formula
C19H19N3O5
Molecular Weight
369.38
Target Alternative Name
Cabotegravir

Chemical Information

F2CJ6P9Kyy
CAS Number2883234-41-9
PubChem CID176487577
IUPAC Name(3R,6S)-N-benzyl-10-hydroxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
Molecular FormulaC19H19N3O5
Molecular Weight369.4
XLogP1.9
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity738
SMILES
C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=CC=CC=C4)O
InChI
InChI=1S/C19H19N3O5/c1-11-10-27-14-9-21-8-13(16(23)17(24)15(21)19(26)22(11)14)18(25)20-7-12-5-3-2-4-6-12/h2-6,8,11,14,24H,7,9-10H2,1H3,(H,20,25)/t11-,14+/m0/s1
InChIKey
DOHAHFJBHRLFAC-SMDDNHRTSA-N
Chemical Structure
2D Structure
2D structure of F2CJ6P9Kyy
CAS: 2883234-41-9
CID: 176487577
Formula: C19H19N3O5
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass369.13247072
Monoisotopic Mass369.13247072
Topological Polar Surface Area99.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity738
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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