7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H15BrN2O4S — CID 4707674

About 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4707674) has the molecular formula C26H15BrN2O4S and a molecular weight of 531.39 g/mol. Its IUPAC name is 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4707674
• Molecular Formula: C26H15BrN2O4S
• Molecular Weight: 531.39 g/mol
• Exact Mass: 529.99
• IUPAC Name: 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1c1nccs1
• InChI: InChI=1S/C26H15BrN2O4S/c27-16-9-10-20-19(14-16)23(30)21-22(29(25(31)24(21)33-20)26-28-11-12-34-26)15-5-4-8-18(13-15)32-17-6-2-1-3-7-17/h1-14,22H
• InChIKey: ZDWOFKPIXVLIKX-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 72.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.39
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4707674) is 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1c1nccs1.

What is the InChIKey of 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ZDWOFKPIXVLIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BrN2O4S/c27-16-9-10-20-19(14-16)23(30)21-22(29(25(31)24(21)33-20)26-28-11-12-34-26)15-5-4-8-18(13-15)32-17-6-2-1-3-7-17/h1-14,22H.

What are the key properties of 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 531.39 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(3-phenoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4707674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).