(3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide

C157H208Cl4F2N18O29S4 — CID 159620377

About (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide

(3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide (PubChem CID 159620377) has the molecular formula C157H208Cl4F2N18O29S4 and a molecular weight of 3119.56 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide
• PubChem CID: 159620377
• Molecular Formula: C157H208Cl4F2N18O29S4
• Molecular Weight: 3119.56 g/mol
• Exact Mass: 3115.30
• IUPAC Name: (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide
• SMILES: CN1CC/C=C\[C@H](OCCN2CCOCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)NS(=O)(=O)N(C)C)CC1=O.CN1CCCC[C@H](OCCN2CC(F)(F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)NS(=O)(=O)N(C)C)CC1=O.CO[C@H]1/C=C/C[C@@H]2CCCN2C(=O)C[C@@](O)(C(=O)NS(=O)(=O)N(C)C)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C/C[C@@H]2CCCN2C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3
• InChI: InChI=1S/C41H56ClN5O8S.C40H54ClF2N5O7S.2C38H49ClN4O7S/c1-44(2)56(51,52)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(54-22-19-46-17-20-53-21-18-46)33-12-9-30(33)26-47-27-40(28-55-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40;1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38;2*1-41(2)51(47,48)40-36(45)38(46)21-35(44)43-18-6-9-29(43)8-4-10-33(49-3)30-14-11-26(30)22-42-23-37(24-50-34-16-12-27(38)20-32(34)42)17-5-7-25-19-28(39)13-15-31(25)37/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49);10-11,13-14,19-20,28,31,34,51H,4-9,12,15-18,21-26H2,1-3H3,(H,44,50);2*4,10,12-13,15-16,19-20,26,29-30,33,46H,5-9,11,14,17-18,21-24H2,1-3H3,(H,40,45)/b8-4-;;2*10-4+/t30-,33+,36-,40-,41+;28-,31+,34-,38-,40+;26-,29+,30+,33-,37-,38+;26-,29+,30+,33-,37-,38-/m0000/s1
• InChIKey: MNVAJOJOKSDCGT-MMVCBZSUSA-N
• XLogP: 16.40
• TPSA: 530.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3119.56
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The IUPAC name of (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide (CID 159620377) is (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide.

What is the SMILES notation for (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The canonical SMILES for (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide is CN1CC/C=C\[C@H](OCCN2CCOCC2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)NS(=O)(=O)N(C)C)CC1=O.CN1CCCC[C@H](OCCN2CC(F)(F)C2)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)NS(=O)(=O)N(C)C)CC1=O.CO[C@H]1/C=C/C[C@@H]2CCCN2C(=O)C[C@@](O)(C(=O)NS(=O)(=O)N(C)C)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CO[C@H]1/C=C/C[C@@H]2CCCN2C(=O)C[C@](O)(C(=O)NS(=O)(=O)N(C)C)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.

What is the InChIKey of (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

The InChIKey is MNVAJOJOKSDCGT-MMVCBZSUSA-N. The full InChI is InChI=1S/C41H56ClN5O8S.C40H54ClF2N5O7S.2C38H49ClN4O7S/c1-44(2)56(51,52)43-39(49)41(50)25-38(48)45(3)16-5-4-8-36(54-22-19-46-17-20-53-21-18-46)33-12-9-30(33)26-47-27-40(28-55-37-14-10-31(41)24-35(37)47)15-6-7-29-23-32(42)11-13-34(29)40;1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38;2*1-41(2)51(47,48)40-36(45)38(46)21-35(44)43-18-6-9-29(43)8-4-10-33(49-3)30-14-11-26(30)22-42-23-37(24-50-34-16-12-27(38)20-32(34)42)17-5-7-25-19-28(39)13-15-31(25)37/h4,8,10-11,13-14,23-24,30,33,36,50H,5-7,9,12,15-22,25-28H2,1-3H3,(H,43,49);10-11,13-14,19-20,28,31,34,51H,4-9,12,15-18,21-26H2,1-3H3,(H,44,50);2*4,10,12-13,15-16,19-20,26,29-30,33,46H,5-9,11,14,17-18,21-24H2,1-3H3,(H,40,45)/b8-4-;;2*10-4+/t30-,33+,36-,40-,41+;28-,31+,34-,38-,40+;26-,29+,30+,33-,37-,38+;26-,29+,30+,33-,37-,38-/m0000/s1.

What are the key properties of (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide?

(3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide has a molecular weight of 3119.56 g/mol, XLogP of 16.40, 22 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'S,15'R)-7-chloro-7'-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'R)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,11'S,18'S)-7-chloro-N-(dimethylsulfamoyl)-18'-hydroxy-7'-methoxy-16'-oxospiro[2,3-dihydro-1H-naphthalene-4,25'-23-oxa-1,15-diazapentacyclo[17.7.2.03,6.011,15.022,27]octacosa-8,19(28),20,22(27)-tetraene]-18'-carboxamide;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-N-(dimethylsulfamoyl)-15'-hydroxy-12'-methyl-7'-(2-morpholin-4-ylethoxy)-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxamide is sourced from PubChem (CID 159620377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).