(12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide

C167H209Cl5N12O23S — CID 157169882

About (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide

(12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide (PubChem CID 157169882) has the molecular formula C167H209Cl5N12O23S and a molecular weight of 2961.90 g/mol. Its IUPAC name is (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide.

Molecular Properties

• Compound Name: (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide
• PubChem CID: 157169882
• Molecular Formula: C167H209Cl5N12O23S
• Molecular Weight: 2961.90 g/mol
• Exact Mass: 2957.37
• IUPAC Name: (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide
• SMILES: C=C1C[C@@](O)(C(=O)O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/CCN1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C=C1C[C@](O)(C(=O)O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/CCN1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CC(=O)[C@@H]1CC(=O)N(C)CCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CC(=O)[C@H]1CC(=O)N(C)CCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CO[C@@]1(C(=O)NS(=O)(=O)N(C)C)CC(=O)N(C)CCC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32
• InChI: InChI=1S/C37H49ClN4O7S.2C34H41ClN2O5.2C31H39ClN2O3/c1-40(2)50(46,47)39-35(45)37(48-4)21-34(44)41(3)18-7-5-6-10-32(43)29-14-11-26(29)22-42-23-36(24-49-33-16-12-27(37)20-31(33)42)17-8-9-25-19-28(38)13-15-30(25)36;2*1-22-18-34(41,32(39)40)25-9-13-31-29(17-25)37(19-24-8-11-27(24)30(38)7-3-4-15-36(22)2)20-33(21-42-31)14-5-6-23-16-26(35)10-12-28(23)33;2*1-22(35)26-19-30(36)33(2)15-6-4-3-5-7-16-34-20-31(21-37-29-13-10-23(26)18-28(29)34)14-8-9-24-17-25(32)11-12-27(24)31/h6,10,12-13,15-16,19-20,26,29,32,43H,5,7-9,11,14,17-18,21-24H2,1-4H3,(H,39,45);2*3,7,9-10,12-13,16-17,24,27,30,38,41H,1,4-6,8,11,14-15,18-21H2,2H3,(H,39,40);2*10-13,17-18,26H,3-9,14-16,19-21H2,1-2H3/b10-6+;2*7-3+;;/t26-,29+,32-,36-,37-;24-,27+,30-,33-,34+;24-,27+,30-,33-,34-;26-,31+;26-,31-/m00010/s1
• InChIKey: ANINFQNCBZQSRP-RQJGPTHXSA-N
• XLogP: 27.30
• TPSA: 415.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2961.90
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide?

The IUPAC name of (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide (CID 157169882) is (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide.

What is the SMILES notation for (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide?

The canonical SMILES for (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide is C=C1C[C@@](O)(C(=O)O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/CCN1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.C=C1C[C@](O)(C(=O)O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@@H](O)/C=C/CCN1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CC(=O)[C@@H]1CC(=O)N(C)CCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CC(=O)[C@H]1CC(=O)N(C)CCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CO[C@@]1(C(=O)NS(=O)(=O)N(C)C)CC(=O)N(C)CCC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.

What is the InChIKey of (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide?

The InChIKey is ANINFQNCBZQSRP-RQJGPTHXSA-N. The full InChI is InChI=1S/C37H49ClN4O7S.2C34H41ClN2O5.2C31H39ClN2O3/c1-40(2)50(46,47)39-35(45)37(48-4)21-34(44)41(3)18-7-5-6-10-32(43)29-14-11-26(29)22-42-23-36(24-49-33-16-12-27(37)20-31(33)42)17-8-9-25-19-28(38)13-15-30(25)36;2*1-22-18-34(41,32(39)40)25-9-13-31-29(17-25)37(19-24-8-11-27(24)30(38)7-3-4-15-36(22)2)20-33(21-42-31)14-5-6-23-16-26(35)10-12-28(23)33;2*1-22(35)26-19-30(36)33(2)15-6-4-3-5-7-16-34-20-31(21-37-29-13-10-23(26)18-28(29)34)14-8-9-24-17-25(32)11-12-27(24)31/h6,10,12-13,15-16,19-20,26,29,32,43H,5,7-9,11,14,17-18,21-24H2,1-4H3,(H,39,45);2*3,7,9-10,12-13,16-17,24,27,30,38,41H,1,4-6,8,11,14-15,18-21H2,2H3,(H,39,40);2*10-13,17-18,26H,3-9,14-16,19-21H2,1-2H3/b10-6+;2*7-3+;;/t26-,29+,32-,36-,37-;24-,27+,30-,33-,34+;24-,27+,30-,33-,34-;26-,31+;26-,31-/m00010/s1.

What are the key properties of (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide?

(12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide has a molecular weight of 2961.90 g/mol, XLogP of 27.30, 8 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (12R,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(12S,19S)-12-acetyl-7'-chloro-9-methylspiro[17-oxa-1,9-diazatricyclo[11.7.2.016,21]docosa-13(22),14,16(21)-triene-19,4'-2,3-dihydro-1H-naphthalene]-10-one;(3'R,4S,6'R,7'S,8'E,15'R)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,15'S)-7-chloro-7',15'-dihydroxy-12'-methyl-13'-methylidenespiro[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'-carboxylic acid;(3'R,4S,6'R,7'S,8'E,16'S)-7-chloro-N-(dimethylsulfamoyl)-7'-hydroxy-16'-methoxy-13'-methyl-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-1,13-diazatetracyclo[15.7.2.03,6.020,25]hexacosa-8,17(26),18,20(25)-tetraene]-16'-carboxamide is sourced from PubChem (CID 157169882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).