(3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

C132H152Cl4F12N8O20S4 — CID 158694021

About (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

(3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one (PubChem CID 158694021) has the molecular formula C132H152Cl4F12N8O20S4 and a molecular weight of 2668.76 g/mol. Its IUPAC name is (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
• PubChem CID: 158694021
• Molecular Formula: C132H152Cl4F12N8O20S4
• Molecular Weight: 2668.76 g/mol
• Exact Mass: 2664.86
• IUPAC Name: (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
• SMILES: C[C@H]1C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@@H]1CC(F)(F)F.C[C@H]1C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@H]1CC(F)(F)F.C[C@H]1C/C=C\[C@@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@@H]1CC(F)(F)F.C[C@H]1C/C=C\[C@@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@H]1CC(F)(F)F
• InChI: InChI=1S/4C33H38ClF3N2O5S/c4*1-20-4-2-6-28(40)25-10-7-23(25)17-39-18-32(13-3-5-21-14-24(34)9-11-26(21)32)19-44-29-12-8-22(15-27(29)39)31(41)38-45(42,43)30(20)16-33(35,36)37/h4*2,6,8-9,11-12,14-15,20,23,25,28,30,40H,3-5,7,10,13,16-19H2,1H3,(H,38,41)/b2*6-2+;2*6-2-/t20-,23-,25+,28-,30+,32-;20-,23-,25+,28-,30-,32-;20-,23-,25+,28+,30+,32-;20-,23-,25+,28+,30-,32-/m0000/s1
• InChIKey: IGSBBHJJYXATRT-HWVGIYKTSA-N
• XLogP: 24.71
• TPSA: 383.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 4
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2668.76
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The IUPAC name of (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one (CID 158694021) is (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one.

What is the SMILES notation for (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The canonical SMILES for (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one is C[C@H]1C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@@H]1CC(F)(F)F.C[C@H]1C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@H]1CC(F)(F)F.C[C@H]1C/C=C\[C@@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@@H]1CC(F)(F)F.C[C@H]1C/C=C\[C@@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@H]1CC(F)(F)F.

What is the InChIKey of (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The InChIKey is IGSBBHJJYXATRT-HWVGIYKTSA-N. The full InChI is InChI=1S/4C33H38ClF3N2O5S/c4*1-20-4-2-6-28(40)25-10-7-23(25)17-39-18-32(13-3-5-21-14-24(34)9-11-26(21)32)19-44-29-12-8-22(15-27(29)39)31(41)38-45(42,43)30(20)16-33(35,36)37/h4*2,6,8-9,11-12,14-15,20,23,25,28,30,40H,3-5,7,10,13,16-19H2,1H3,(H,38,41)/b2*6-2+;2*6-2-/t20-,23-,25+,28-,30+,32-;20-,23-,25+,28-,30-,32-;20-,23-,25+,28+,30+,32-;20-,23-,25+,28+,30-,32-/m0000/s1.

What are the key properties of (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

(3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one has a molecular weight of 2668.76 g/mol, XLogP of 24.71, 4 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'R,8'Z,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'Z,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'S)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-hydroxy-11'-methyl-13',13'-dioxo-12'-(2,2,2-trifluoroethyl)spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one is sourced from PubChem (CID 158694021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).