5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate

C168H132Cl5N25O14S3 — CID 158614733

IUPAC5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate
SMILESCC(=O)c1cccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)c1.COC(=O)Cc1ccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc([C@@H](Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc([C@H](Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1
InChIInChI=1S/C35H28ClN5O3.C34H26ClN5O2.3C33H26ClN5O3S/c1-44-35(42)19-25-10-12-26(13-11-25)27-8-5-9-28(20-27)31(18-24-6-3-2-4-7-24)34-16-14-29(22-41(34)43)32-21-30(36)15-17-33(32)40-23-37-38-39-40;1-23(41)25-9-5-10-26(18-25)27-11-6-12-28(19-27)31(17-24-7-3-2-4-8-24)34-15-13-29(21-40(34)42)32-20-30(35)14-16-33(32)39-22-36-37-38-39;3*1-43(41,42)29-14-10-24(11-15-29)25-8-5-9-26(19-25)30(18-23-6-3-2-4-7-23)33-16-12-27(21-39(33)40)31-20-28(34)13-17-32(31)38-22-35-36-37-38/h2-17,20-23,31H,18-19H2,1H3;2-16,18-22,31H,17H2,1H3;3*2-17,19-22,30H,18H2,1H3/t;;2*30-;/m..10./s1
InChIKeyHXGFWHJRJQHRJC-BFMWEUFYSA-N
MW2998.53 g/mol
LogP31.42
Rot. Bonds41

About 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate

5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate (PubChem CID 158614733) has the molecular formula C168H132Cl5N25O14S3 and a molecular weight of 2998.53 g/mol. Its IUPAC name is 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate.

Molecular Properties

Compound Name5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate
PubChem CID158614733
Molecular FormulaC168H132Cl5N25O14S3
Molecular Weight2998.53 g/mol
Exact Mass2993.80
IUPAC Name5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate
SMILESCC(=O)c1cccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)c1.COC(=O)Cc1ccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc([C@@H](Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc([C@H](Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1
InChIInChI=1S/C35H28ClN5O3.C34H26ClN5O2.3C33H26ClN5O3S/c1-44-35(42)19-25-10-12-26(13-11-25)27-8-5-9-28(20-27)31(18-24-6-3-2-4-7-24)34-16-14-29(22-41(34)43)32-21-30(36)15-17-33(32)40-23-37-38-39-40;1-23(41)25-9-5-10-26(18-25)27-11-6-12-28(19-27)31(17-24-7-3-2-4-8-24)34-15-13-29(21-40(34)42)32-20-30(35)14-16-33(32)39-22-36-37-38-39;3*1-43(41,42)29-14-10-24(11-15-29)25-8-5-9-26(19-25)30(18-23-6-3-2-4-7-23)33-16-12-27(21-39(33)40)31-20-28(34)13-17-32(31)38-22-35-36-37-38/h2-17,20-23,31H,18-19H2,1H3;2-16,18-22,31H,17H2,1H3;3*2-17,19-22,30H,18H2,1H3/t;;2*30-;/m..10./s1
InChIKeyHXGFWHJRJQHRJC-BFMWEUFYSA-N
XLogP31.42
TPSA498.49 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002998.53
LogP ≤ 531.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate with MolForge

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Related Compounds

1-[3-[3-[(1S)-1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]-5-fluorophenyl]phenyl]ethanone;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]-5-fluorophenyl]phenyl]ethanone;1-[3-[3-[(1S)-1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;1-[3-[3-[(1R)-1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;1-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone
CID 160561412
5-acetyl-N-[(1S)-1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]thiophene-2-carboxamide;N-[(1S)-1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]-1-methyl-3H-isoindole-5-carboxamide;methyl 2-[3-[[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]carbamoyl]phenyl]acetate;methyl N-[4-[[(1S)-1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]carbamoyl]phenyl]carbamate
CID 161927437

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate?
The IUPAC name of 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate (CID 158614733) is 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate.
What is the SMILES notation for 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate?
The canonical SMILES for 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate is CC(=O)c1cccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)c1.COC(=O)Cc1ccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc(C(Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc([C@@H](Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.CS(=O)(=O)c1ccc(-c2cccc([C@H](Cc3ccccc3)c3ccc(-c4cc(Cl)ccc4-n4cnnn4)c[n+]3[O-])c2)cc1.
What is the InChIKey of 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate?
The InChIKey is HXGFWHJRJQHRJC-BFMWEUFYSA-N. The full InChI is InChI=1S/C35H28ClN5O3.C34H26ClN5O2.3C33H26ClN5O3S/c1-44-35(42)19-25-10-12-26(13-11-25)27-8-5-9-28(20-27)31(18-24-6-3-2-4-7-24)34-16-14-29(22-41(34)43)32-21-30(36)15-17-33(32)40-23-37-38-39-40;1-23(41)25-9-5-10-26(18-25)27-11-6-12-28(19-27)31(17-24-7-3-2-4-8-24)34-15-13-29(21-40(34)42)32-20-30(35)14-16-33(32)39-22-36-37-38-39;3*1-43(41,42)29-14-10-24(11-15-29)25-8-5-9-26(19-25)30(18-23-6-3-2-4-7-23)33-16-12-27(21-39(33)40)31-20-28(34)13-17-32(31)38-22-35-36-37-38/h2-17,20-23,31H,18-19H2,1H3;2-16,18-22,31H,17H2,1H3;3*2-17,19-22,30H,18H2,1H3/t;;2*30-;/m..10./s1.
What are the key properties of 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate?
5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate has a molecular weight of 2998.53 g/mol, XLogP of 31.42, 41 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1S)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[(1R)-1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;5-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[1-[3-(4-methylsulfonylphenyl)phenyl]-2-phenylethyl]-1-oxidopyridin-1-ium;1-[3-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]ethanone;methyl 2-[4-[3-[1-[5-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-oxidopyridin-1-ium-2-yl]-2-phenylethyl]phenyl]phenyl]acetate is sourced from PubChem (CID 158614733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).