2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H13ClN4O4S — CID 7259446

IUPAC2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H13ClN4O4S/c18-10-1-4-14-20-16(21-17(24)22(14)8-10)27-9-15(23)19-11-2-3-12-13(7-11)26-6-5-25-12/h1-4,7-8H,5-6,9H2,(H,19,23)
InChIKeySGLIYTWGMILWFY-UHFFFAOYSA-N
MW404.84 g/mol
LogP2.24
Rot. Bonds4

About 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 7259446) has the molecular formula C17H13ClN4O4S and a molecular weight of 404.84 g/mol. Its IUPAC name is 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID7259446
Molecular FormulaC17H13ClN4O4S
Molecular Weight404.84 g/mol
Exact Mass404.03
IUPAC Name2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H13ClN4O4S/c18-10-1-4-14-20-16(21-17(24)22(14)8-10)27-9-15(23)19-11-2-3-12-13(7-11)26-6-5-25-12/h1-4,7-8H,5-6,9H2,(H,19,23)
InChIKeySGLIYTWGMILWFY-UHFFFAOYSA-N
XLogP2.24
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.84
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 860074
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 135460604
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4130088
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3239791
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3240264
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3241382
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((3-(2-methoxyethyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3604857
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4047057
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256633
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7258994
N-(1,3-benzodioxol-5-yl)-2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7259159
N-(benzo[d][1,3]dioxol-5-yl)-2-((7-chloro-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamide
CID 7259444

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 7259446) is 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CSc1nc(=O)n2cc(Cl)ccc2n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is SGLIYTWGMILWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4S/c18-10-1-4-14-20-16(21-17(24)22(14)8-10)27-9-15(23)19-11-2-3-12-13(7-11)26-6-5-25-12/h1-4,7-8H,5-6,9H2,(H,19,23).
What are the key properties of 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 404.84 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 7259446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).