Baloxavir

C24H19F2N3O4SCAS 1985605-59-1483.49 g/mol

Open in Covalent MOL file
ONOONNSFFOH
AmideAryl halideEtherLactamPhenolSulfideTertiary amine

Properties

Molecular formula
C24H19F2N3O4S
Molar mass
483.49 g/mol
Exact mass
483.1064 Da
logP
2.98Crippen estimate
Polar surface area
75.0 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1985605-59-1
SMILES
C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F)O
InChIKey
FIDLLEYNNRGVFR-CTNGQTDRSA-N
InChI
InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1

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Work with Baloxavir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

[[(12aR)-12-[(11S)-7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-3,4,6,8,12,12a-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl]oxy]methyl methyl carbonate1985606-14-172 % similar 7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol1985607-83-738 % similar (R)-7-(Benzyloxy)- 3,4,12,12A-tetrahydro- 1H-[1,4]oxazino[3,4- C]pyrido[2,1-F][1,2,4]- triazine-6,8-dione1985607-70-232 % similar Serratiopeptidase37312-62-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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