1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C34H19ClF2N4O4S2 — CID 18868543

About 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868543) has the molecular formula C34H19ClF2N4O4S2 and a molecular weight of 685.13 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868543
• Molecular Formula: C34H19ClF2N4O4S2
• Molecular Weight: 685.13 g/mol
• Exact Mass: 684.05
• IUPAC Name: 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: O=C1c2oc3ccc(F)cc3c(=O)c2C2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1nnc(SCc2ccccc2F)s1
• InChI: InChI=1S/C34H19ClF2N4O4S2/c35-23-10-4-1-7-18(23)16-40-25-12-6-3-9-22(25)34(31(40)44)27-28(42)21-15-20(36)13-14-26(21)45-29(27)30(43)41(34)32-38-39-33(47-32)46-17-19-8-2-5-11-24(19)37/h1-15H,16-17H2
• InChIKey: QZNXNTSQKZZUMA-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 96.61 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.13
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868543) is 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is O=C1c2oc3ccc(F)cc3c(=O)c2C2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1nnc(SCc2ccccc2F)s1.

What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is QZNXNTSQKZZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19ClF2N4O4S2/c35-23-10-4-1-7-18(23)16-40-25-12-6-3-9-22(25)34(31(40)44)27-28(42)21-15-20(36)13-14-26(21)45-29(27)30(43)41(34)32-38-39-33(47-32)46-17-19-8-2-5-11-24(19)37/h1-15H,16-17H2.

What are the key properties of 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 685.13 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(2-chlorophenyl)methyl]-7-fluoro-2-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).