ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C32H21Cl2N3O6S — CID 18867991

About ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 18867991) has the molecular formula C32H21Cl2N3O6S and a molecular weight of 646.51 g/mol. Its IUPAC name is ethyl 2-[7-chloro-1'-[(4-chlorophenyl)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: ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 18867991
• Molecular Formula: C32H21Cl2N3O6S
• Molecular Weight: 646.51 g/mol
• Exact Mass: 645.05
• IUPAC Name: ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)nc1C
• InChI: InChI=1S/C32H21Cl2N3O6S/c1-3-42-29(40)27-16(2)35-31(44-27)37-28(39)26-24(25(38)20-14-19(34)12-13-23(20)43-26)32(37)21-6-4-5-7-22(21)36(30(32)41)15-17-8-10-18(33)11-9-17/h4-14H,3,15H2,1-2H3
• InChIKey: MXFMBRVVYWKHHK-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 110.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.51
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[7-chloro-1'-[(4-chlorophenyl)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 ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 18867991) is ethyl 2-[7-chloro-1'-[(4-chlorophenyl)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 ethyl 2-[7-chloro-1'-[(4-chlorophenyl)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 ethyl 2-[7-chloro-1'-[(4-chlorophenyl)methyl]-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)nc1C.

What is the InChIKey of ethyl 2-[7-chloro-1'-[(4-chlorophenyl)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 MXFMBRVVYWKHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Cl2N3O6S/c1-3-42-29(40)27-16(2)35-31(44-27)37-28(39)26-24(25(38)20-14-19(34)12-13-23(20)43-26)32(37)21-6-4-5-7-22(21)36(30(32)41)15-17-8-10-18(33)11-9-17/h4-14H,3,15H2,1-2H3.

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

ethyl 2-[7-chloro-1'-[(4-chlorophenyl)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 646.51 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[7-chloro-1'-[(4-chlorophenyl)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 18867991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).