[3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate

C19H17Cl2F2N3O4S — CID 59623748

IUPAC[3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=C(c2ccc(Cl)cc2Cl)S(=O)(=O)N(CC(F)F)c2nccnc21
InChIInChI=1S/C19H17Cl2F2N3O4S/c1-19(2,3)18(27)30-15-14-17(25-7-6-24-14)26(9-13(22)23)31(28,29)16(15)11-5-4-10(20)8-12(11)21/h4-8,13H,9H2,1-3H3
InChIKeyKUIYDWAIALLFQY-UHFFFAOYSA-N
MW492.33 g/mol
LogP4.61
Rot. Bonds4

About [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate

[3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate (PubChem CID 59623748) has the molecular formula C19H17Cl2F2N3O4S and a molecular weight of 492.33 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate
PubChem CID59623748
Molecular FormulaC19H17Cl2F2N3O4S
Molecular Weight492.33 g/mol
Exact Mass491.03
IUPAC Name[3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1=C(c2ccc(Cl)cc2Cl)S(=O)(=O)N(CC(F)F)c2nccnc21
InChIInChI=1S/C19H17Cl2F2N3O4S/c1-19(2,3)18(27)30-15-14-17(25-7-6-24-14)26(9-13(22)23)31(28,29)16(15)11-5-4-10(20)8-12(11)21/h4-8,13H,9H2,1-3H3
InChIKeyKUIYDWAIALLFQY-UHFFFAOYSA-N
XLogP4.61
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-Chloro-5-trifluoromethyl-phenyl-methanesulfonyl)-ethyl-amino]-pyrazine-2-carboxylic acid methyl ester
CID 59623724
[3-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate
CID 59623725
Methyl 3-[(2,4-dichlorophenyl)methylsulfonyl-(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 59623737
Isobutyric acid 3-(2,4-dichloro-phenyl)-1-(2-fluoroethyl)-2,2-dioxo-1,2-dihydro-2-lambda-6-thia-1,5,8-triaza-naphthalen-4-yl ester
CID 59623738
[1-Ethyl-2,2-dioxo-3-[2-(trifluoromethylsulfanyl)phenyl]pyrazino[2,3-c]thiazin-4-yl] 2-methylpropanoate
CID 59623741
[3-(3-Bromo-2-chloro-6-fluorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate
CID 59623742
3-[(2-Chloro-5-trifluoromethyl-phenylmethanesulfonyl)-(2,2-difluoro-ethyl)-amino]-pyrazine-2-carboxylic acid methyl ester
CID 59623743
Isobutyric acid 3-(2-chloro-4-methyl-phenyl)-1-(2,2-difluoro-ethyl)-2,2-dioxo-1,2-dihydro-2-lambda-6-thia-1,5,8-triaza-naphthalen-4-yl ester
CID 59623752
[3-(2,3-Dichloro-6-fluorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate
CID 59623755
2,2-Dimethyl-propionic acid-3-(2-chloro-3,6-difluoro-phenyl)-2,2-dioxo-1,2-dihydro-2-lambda-6-thia-1,5,8-triaza-naphthalen-4-yl ester
CID 59623756
[3-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] methanesulfonate
CID 59623761
[3-[2-Chloro-3-(3-chlorophenyl)-6-fluorophenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate
CID 59623762

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate (CID 59623748) is [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1=C(c2ccc(Cl)cc2Cl)S(=O)(=O)N(CC(F)F)c2nccnc21.
What is the InChIKey of [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is KUIYDWAIALLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2N3O4S/c1-19(2,3)18(27)30-15-14-17(25-7-6-24-14)26(9-13(22)23)31(28,29)16(15)11-5-4-10(20)8-12(11)21/h4-8,13H,9H2,1-3H3.
What are the key properties of [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate?
[3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 492.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 59623748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).