5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione

C18H12N2O6S3 — CID 101480670

IUPAC5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c(-c3scc4c3OCCO4)sc(-c3scc4c3OCCO4)c12
InChIInChI=1S/C18H12N2O6S3/c21-17-9-10(18(22)20-19-17)14(16-12-8(6-28-16)24-2-4-26-12)29-13(9)15-11-7(5-27-15)23-1-3-25-11/h5-6H,1-4H2,(H,19,21)(H,20,22)
InChIKeyCPXVMOWOIVPURZ-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.28
Rot. Bonds2

About 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione

5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione (PubChem CID 101480670) has the molecular formula C18H12N2O6S3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione.

Molecular Properties

Compound Name5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione
PubChem CID101480670
Molecular FormulaC18H12N2O6S3
Molecular Weight448.50 g/mol
Exact Mass447.99
IUPAC Name5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c(-c3scc4c3OCCO4)sc(-c3scc4c3OCCO4)c12
InChIInChI=1S/C18H12N2O6S3/c21-17-9-10(18(22)20-19-17)14(16-12-8(6-28-16)24-2-4-26-12)29-13(9)15-11-7(5-27-15)23-1-3-25-11/h5-6H,1-4H2,(H,19,21)(H,20,22)
InChIKeyCPXVMOWOIVPURZ-UHFFFAOYSA-N
XLogP3.28
TPSA102.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione with MolForge

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Related Compounds

6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
5-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-7-(7-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214313
4-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]aniline
CID 67470058
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-bis[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]aniline
CID 59696867
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CID 129214308
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CID 147519853
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CID 101124360
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CID 134969073

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione?
The IUPAC name of 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione (CID 101480670) is 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione.
What is the SMILES notation for 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione?
The canonical SMILES for 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione is O=c1[nH][nH]c(=O)c2c(-c3scc4c3OCCO4)sc(-c3scc4c3OCCO4)c12.
What is the InChIKey of 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione?
The InChIKey is CPXVMOWOIVPURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O6S3/c21-17-9-10(18(22)20-19-17)14(16-12-8(6-28-16)24-2-4-26-12)29-13(9)15-11-7(5-27-15)23-1-3-25-11/h5-6H,1-4H2,(H,19,21)(H,20,22).
What are the key properties of 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione?
5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione has a molecular weight of 448.50 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione is sourced from PubChem (CID 101480670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).