LY-3499446 Mesylate
Basic information
- CAS
2409131-51-5- Standard SMILES
C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(F)c5sc(N)nc45)c(Cl)cc23)CC1.CS(=O)(=O)O- InChIKey
JMLVFLXHTJKNBX-UHFFFAOYSA-N- Molecular formula
- C23H21ClF2N6O4S2
- Average molar mass
- 583 g/mol
- Monoisotopic mass
- 582.0722295
Names & identifiers
- Preferred name
- LY-3499446 Mesylate
- IUPAC
- 1-[4-[7-(2-amino-7-fluoro-1,3-benzothiazol-4-yl)-6-chloro-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methanesulfonic acid
Names & synonyms
LY3499446 mesylateLY-3499446 mesylate3EIS81X77B2409131-51-5RefChem:1088632LY3499446 mesilateUNII-3EIS81X77B2-Propen-1-one, 1-(4-(7-2-amino-7-fluoro-4-benzothiazolyl)-6-chloro-8-fluoro-4-quinazolinyl)-1-piperazinyl)-, methanesulfonate (1:1)SCHEMBL21839483SCHEMBL29611675
Database identifiers
- CAS
2409131-51-5- PubChem CID
- 146472811
- UNII
- 3EIS81X77B
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 838
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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