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

C27H17FN2O4S — CID 4708360

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

7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708360) has the molecular formula C27H17FN2O4S and a molecular weight of 484.51 g/mol. Its IUPAC name is 7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4708360
• Molecular Formula: C27H17FN2O4S
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.09
• IUPAC Name: 7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1nccs1
• InChI: InChI=1S/C27H17FN2O4S/c28-18-9-10-21-20(14-18)24(31)22-23(30(26(32)25(22)34-21)27-29-11-12-35-27)17-7-4-8-19(13-17)33-15-16-5-2-1-3-6-16/h1-14,23H,15H2
• InChIKey: BOYQKKJPIFOEIF-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 72.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708360) is 7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1nccs1.

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

The InChIKey is BOYQKKJPIFOEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2O4S/c28-18-9-10-21-20(14-18)24(31)22-23(30(26(32)25(22)34-21)27-29-11-12-35-27)17-7-4-8-19(13-17)33-15-16-5-2-1-3-6-16/h1-14,23H,15H2.

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

7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 484.51 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).