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

C34H18Cl3FN4O4S2 — CID 18868500

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

1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868500) has the molecular formula C34H18Cl3FN4O4S2 and a molecular weight of 736.03 g/mol. Its IUPAC name is 1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868500
• Molecular Formula: C34H18Cl3FN4O4S2
• Molecular Weight: 736.03 g/mol
• Exact Mass: 733.98
• IUPAC Name: 1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: O=C1c2oc3ccc(F)cc3c(=O)c2C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1nnc(SCc2ccc(Cl)cc2Cl)s1
• InChI: InChI=1S/C34H18Cl3FN4O4S2/c35-19-8-5-17(6-9-19)15-41-25-4-2-1-3-23(25)34(31(41)45)27-28(43)22-14-21(38)11-12-26(22)46-29(27)30(44)42(34)32-39-40-33(48-32)47-16-18-7-10-20(36)13-24(18)37/h1-14H,15-16H2
• InChIKey: ANYORYCSXSPAMH-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 96.61 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.03
LogP ≤ 5	8.49
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'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868500) is 1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

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

The canonical SMILES for 1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is O=C1c2oc3ccc(F)cc3c(=O)c2C2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N1c1nnc(SCc2ccc(Cl)cc2Cl)s1.

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

The InChIKey is ANYORYCSXSPAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18Cl3FN4O4S2/c35-19-8-5-17(6-9-19)15-41-25-4-2-1-3-23(25)34(31(41)45)27-28(43)22-14-21(38)11-12-26(22)46-29(27)30(44)42(34)32-39-40-33(48-32)47-16-18-7-10-20(36)13-24(18)37/h1-14H,15-16H2.

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

1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 736.03 g/mol, XLogP of 8.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(4-chlorophenyl)methyl]-2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-7-fluorospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).