prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C34H24FN3O6S — CID 18868396

About prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 18868396) has the molecular formula C34H24FN3O6S and a molecular weight of 621.65 g/mol. Its IUPAC name is prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 18868396
• Molecular Formula: C34H24FN3O6S
• Molecular Weight: 621.65 g/mol
• Exact Mass: 621.14
• IUPAC Name: prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: C=CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccc(C)cc2)c2ccccc23)nc1C
• InChI: InChI=1S/C34H24FN3O6S/c1-4-15-43-31(41)29-19(3)36-33(45-29)38-30(40)28-26(27(39)22-16-21(35)13-14-25(22)44-28)34(38)23-7-5-6-8-24(23)37(32(34)42)17-20-11-9-18(2)10-12-20/h4-14,16H,1,15,17H2,2-3H3
• InChIKey: ZUESBDCYDNFDDF-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 110.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.65
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 18868396) is prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C23C(=O)N(Cc2ccc(C)cc2)c2ccccc23)nc1C.

What is the InChIKey of prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is ZUESBDCYDNFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24FN3O6S/c1-4-15-43-31(41)29-19(3)36-33(45-29)38-30(40)28-26(27(39)22-16-21(35)13-14-25(22)44-28)34(38)23-7-5-6-8-24(23)37(32(34)42)17-20-11-9-18(2)10-12-20/h4-14,16H,1,15,17H2,2-3H3.

What are the key properties of prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 621.65 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 2-[7-fluoro-1'-[(4-methylphenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18868396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).