lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide

C115H98Cl8LiN7NaO18S4- — CID 159460805

About lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide

lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide (PubChem CID 159460805) has the molecular formula C115H98Cl8LiN7NaO18S4- and a molecular weight of 2307.90 g/mol. Its IUPAC name is lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide.

Molecular Properties

• Compound Name: lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide
• PubChem CID: 159460805
• Molecular Formula: C115H98Cl8LiN7NaO18S4-
• Molecular Weight: 2307.90 g/mol
• Exact Mass: 2302.34
• IUPAC Name: lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide
• SMILES: C.COC(=O)C1(c2ccc(-c3ccc(-c4snc(Cl)c4C(=O)O)cc3)cc2)CC1.COC(=O)C1(c2ccc(-c3ccc(-c4snc(Cl)c4NC(=O)O[C@H](C)c4ccccc4Cl)cc3)cc2)CC1.C[C@@H](O)c1ccccc1Cl.C[C@@H](OC(=O)Nc1c(Cl)nsc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1Cl.C[C@@H](OC(=O)Nc1c(Cl)nsc1-c1ccc(-c2ccc(C3([C-]=O)CC3)cc2)cc1)c1ccccc1Cl.[Li+].[Na+].[OH-].[OH-]
• InChI: InChI=1S/C29H24Cl2N2O4S.C28H22Cl2N2O4S.C28H21Cl2N2O3S.C21H16ClNO4S.C8H9ClO.CH4.Li.Na.2H2O/c1-17(22-5-3-4-6-23(22)30)37-28(35)32-24-25(38-33-26(24)31)20-9-7-18(8-10-20)19-11-13-21(14-12-19)29(15-16-29)27(34)36-2;1-16(21-4-2-3-5-22(21)29)36-27(35)31-23-24(37-32-25(23)30)19-8-6-17(7-9-19)18-10-12-20(13-11-18)28(14-15-28)26(33)34;1-17(22-4-2-3-5-23(22)29)35-27(34)31-24-25(36-32-26(24)30)20-8-6-18(7-9-20)19-10-12-21(13-11-19)28(16-33)14-15-28;1-27-20(26)21(10-11-21)15-8-6-13(7-9-15)12-2-4-14(5-3-12)17-16(19(24)25)18(22)23-28-17;1-6(10)7-4-2-3-5-8(7)9;;;;;/h3-14,17H,15-16H2,1-2H3,(H,32,35);2-13,16H,14-15H2,1H3,(H,31,35)(H,33,34);2-13,17H,14-15H2,1H3,(H,31,34);2-9H,10-11H2,1H3,(H,24,25);2-6,10H,1H3;1H4;;;2*1H2/q;;-1;;;;2*+1;;/p-2/t17-;16-;17-;;6-;;;;;/m111.1...../s1
• InChIKey: VANPTKLKCVZZEV-QQRFBWJVSA-L
• XLogP: 26.46
• TPSA: 391.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.90
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide?

The IUPAC name of lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide (CID 159460805) is lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide.

What is the SMILES notation for lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide?

The canonical SMILES for lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide is C.COC(=O)C1(c2ccc(-c3ccc(-c4snc(Cl)c4C(=O)O)cc3)cc2)CC1.COC(=O)C1(c2ccc(-c3ccc(-c4snc(Cl)c4NC(=O)O[C@H](C)c4ccccc4Cl)cc3)cc2)CC1.C[C@@H](O)c1ccccc1Cl.C[C@@H](OC(=O)Nc1c(Cl)nsc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1Cl.C[C@@H](OC(=O)Nc1c(Cl)nsc1-c1ccc(-c2ccc(C3([C-]=O)CC3)cc2)cc1)c1ccccc1Cl.[Li+].[Na+].[OH-].[OH-].

What is the InChIKey of lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide?

The InChIKey is VANPTKLKCVZZEV-QQRFBWJVSA-L. The full InChI is InChI=1S/C29H24Cl2N2O4S.C28H22Cl2N2O4S.C28H21Cl2N2O3S.C21H16ClNO4S.C8H9ClO.CH4.Li.Na.2H2O/c1-17(22-5-3-4-6-23(22)30)37-28(35)32-24-25(38-33-26(24)31)20-9-7-18(8-10-20)19-11-13-21(14-12-19)29(15-16-29)27(34)36-2;1-16(21-4-2-3-5-22(21)29)36-27(35)31-23-24(37-32-25(23)30)19-8-6-17(7-9-19)18-10-12-20(13-11-18)28(14-15-28)26(33)34;1-17(22-4-2-3-5-23(22)29)35-27(34)31-24-25(36-32-26(24)30)20-8-6-18(7-9-20)19-10-12-21(13-11-19)28(16-33)14-15-28;1-27-20(26)21(10-11-21)15-8-6-13(7-9-15)12-2-4-14(5-3-12)17-16(19(24)25)18(22)23-28-17;1-6(10)7-4-2-3-5-8(7)9;;;;;/h3-14,17H,15-16H2,1-2H3,(H,32,35);2-13,16H,14-15H2,1H3,(H,31,35)(H,33,34);2-13,17H,14-15H2,1H3,(H,31,34);2-9H,10-11H2,1H3,(H,24,25);2-6,10H,1H3;1H4;;;2*1H2/q;;-1;;;;2*+1;;/p-2/t17-;16-;17-;;6-;;;;;/m111.1...../s1.

What are the key properties of lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide?

lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide has a molecular weight of 2307.90 g/mol, XLogP of 26.46, 27 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;3-chloro-5-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-1,2-thiazole-4-carboxylic acid;(1R)-1-(2-chlorophenyl)ethanol;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-chloro-5-[4-[4-[1-(oxomethyl)cyclopropyl]phenyl]phenyl]-1,2-thiazol-4-yl]carbamate;methane;methyl 1-[4-[4-[3-chloro-4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate;dihydroxide is sourced from PubChem (CID 159460805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).