(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione

C84H80Cl8N8O12 — CID 159798374

About (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione

(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione (PubChem CID 159798374) has the molecular formula C84H80Cl8N8O12 and a molecular weight of 1677.23 g/mol. Its IUPAC name is (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione.

Molecular Properties

• Compound Name: (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
• PubChem CID: 159798374
• Molecular Formula: C84H80Cl8N8O12
• Molecular Weight: 1677.23 g/mol
• Exact Mass: 1672.34
• IUPAC Name: (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione
• SMILES: CCO[C@@H]1CC(=O)NC[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12.CCO[C@@H]1CNC(=O)C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12.CCO[C@H]1CC(=O)NC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.CCO[C@H]1CNC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/4C21H20Cl2N2O3/c2*1-2-28-18-10-19(26)24-11-16(12-4-3-5-13(22)8-12)21(18)15-7-6-14(23)9-17(15)25-20(21)27;2*1-2-28-18-11-24-19(26)10-16(12-4-3-5-13(22)8-12)21(18)15-7-6-14(23)9-17(15)25-20(21)27/h4*3-9,16,18H,2,10-11H2,1H3,(H,24,26)(H,25,27)/t4*16-,18-,21-/m1010/s1
• InChIKey: NJLRFRKXGAYWMJ-CAOCMAKGSA-N
• XLogP: 15.57
• TPSA: 269.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1677.23
LogP ≤ 5	15.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione?

The IUPAC name of (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione (CID 159798374) is (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione.

What is the SMILES notation for (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione?

The canonical SMILES for (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione is CCO[C@@H]1CC(=O)NC[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12.CCO[C@@H]1CNC(=O)C[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12.CCO[C@H]1CC(=O)NC[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.CCO[C@H]1CNC(=O)C[C@@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione?

The InChIKey is NJLRFRKXGAYWMJ-CAOCMAKGSA-N. The full InChI is InChI=1S/4C21H20Cl2N2O3/c2*1-2-28-18-10-19(26)24-11-16(12-4-3-5-13(22)8-12)21(18)15-7-6-14(23)9-17(15)25-20(21)27;2*1-2-28-18-11-24-19(26)10-16(12-4-3-5-13(22)8-12)21(18)15-7-6-14(23)9-17(15)25-20(21)27/h4*3-9,16,18H,2,10-11H2,1H3,(H,24,26)(H,25,27)/t4*16-,18-,21-/m1010/s1.

What are the key properties of (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione?

(3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione has a molecular weight of 1677.23 g/mol, XLogP of 15.57, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4'R,6'S)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'R)-6-chloro-4'-(3-chlorophenyl)-6'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3S,4'R,6'R)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione;(3R,4'S,6'S)-6-chloro-6'-(3-chlorophenyl)-4'-ethoxyspiro[1H-indole-3,5'-azepane]-2,2'-dione is sourced from PubChem (CID 159798374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).