(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone

C163H149Cl9N38O17S3 — CID 159123846

IUPAC(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)s2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2ccc3ccn(C)c3c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cccc(-c3nccs3)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cn(C)c3ccccc23)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2sc3ccccc3c2Cl)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COCc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)C2)oc2ccccc12.Cc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)C(C)C1
InChIInChI=1S/C25H24ClN5O4.C24H21ClN6O2S.2C24H23ClN6O2.C24H22ClN5O3.C23H19Cl2N5O2S.C19H17Cl2N5O2S/c1-16-13-29(24(32)22-20(14-34-2)19-8-3-4-9-21(19)35-22)10-11-30(16)25(33)23-27-15-31(28-23)18-7-5-6-17(26)12-18;1-16-14-29(23(32)18-5-2-4-17(12-18)22-26-8-11-34-22)9-10-30(16)24(33)21-27-15-31(28-21)20-7-3-6-19(25)13-20;1-16-13-29(23(32)20-14-28(2)21-9-4-3-8-19(20)21)10-11-30(16)24(33)22-26-15-31(27-22)18-7-5-6-17(25)12-18;1-16-14-29(23(32)18-7-6-17-8-9-28(2)21(17)12-18)10-11-30(16)24(33)22-26-15-31(27-22)20-5-3-4-19(25)13-20;1-15-13-28(23(31)21-16(2)33-20-9-4-3-8-19(20)21)10-11-29(15)24(32)22-26-14-30(27-22)18-7-5-6-17(25)12-18;1-14-12-28(22(31)20-19(25)17-7-2-3-8-18(17)33-20)9-10-29(14)23(32)21-26-13-30(27-21)16-6-4-5-15(24)11-16;1-12-10-24(18(27)15-5-6-16(21)29-15)7-8-25(12)19(28)17-22-11-26(23-17)14-4-2-3-13(20)9-14/h3-9,12,15-16H,10-11,13-14H2,1-2H3;2-8,11-13,15-16H,9-10,14H2,1H3;3-9,12,14-16H,10-11,13H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;3-9,12,14-15H,10-11,13H2,1-2H3;2-8,11,13-14H,9-10,12H2,1H3;2-6,9,11-12H,7-8,10H2,1H3
InChIKeyKGANLRSTGISXQB-UHFFFAOYSA-N
MW3327.51 g/mol
LogP26.99
Rot. Bonds24

About (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone

(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 159123846) has the molecular formula C163H149Cl9N38O17S3 and a molecular weight of 3327.51 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID159123846
Molecular FormulaC163H149Cl9N38O17S3
Molecular Weight3327.51 g/mol
Exact Mass3320.83
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)s2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2ccc3ccn(C)c3c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cccc(-c3nccs3)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cn(C)c3ccccc23)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2sc3ccccc3c2Cl)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COCc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)C2)oc2ccccc12.Cc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)C(C)C1
InChIInChI=1S/C25H24ClN5O4.C24H21ClN6O2S.2C24H23ClN6O2.C24H22ClN5O3.C23H19Cl2N5O2S.C19H17Cl2N5O2S/c1-16-13-29(24(32)22-20(14-34-2)19-8-3-4-9-21(19)35-22)10-11-30(16)25(33)23-27-15-31(28-23)18-7-5-6-17(26)12-18;1-16-14-29(23(32)18-5-2-4-17(12-18)22-26-8-11-34-22)9-10-30(16)24(33)21-27-15-31(28-21)20-7-3-6-19(25)13-20;1-16-13-29(23(32)20-14-28(2)21-9-4-3-8-19(20)21)10-11-30(16)24(33)22-26-15-31(27-22)18-7-5-6-17(25)12-18;1-16-14-29(23(32)18-7-6-17-8-9-28(2)21(17)12-18)10-11-30(16)24(33)22-26-15-31(27-22)20-5-3-4-19(25)13-20;1-15-13-28(23(31)21-16(2)33-20-9-4-3-8-19(20)21)10-11-29(15)24(32)22-26-14-30(27-22)18-7-5-6-17(25)12-18;1-14-12-28(22(31)20-19(25)17-7-2-3-8-18(17)33-20)9-10-29(14)23(32)21-26-13-30(27-21)16-6-4-5-15(24)11-16;1-12-10-24(18(27)15-5-6-16(21)29-15)7-8-25(12)19(28)17-22-11-26(23-17)14-4-2-3-13(20)9-14/h3-9,12,15-16H,10-11,13-14H2,1-2H3;2-8,11-13,15-16H,9-10,14H2,1H3;3-9,12,14-16H,10-11,13H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;3-9,12,14-15H,10-11,13H2,1-2H3;2-8,11,13-14H,9-10,12H2,1H3;2-6,9,11-12H,7-8,10H2,1H3
InChIKeyKGANLRSTGISXQB-UHFFFAOYSA-N
XLogP26.99
TPSA557.57 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003327.51
LogP ≤ 526.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1H-inden-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone
CID 159971239
1,3-Benzodioxol-4-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;1-benzofuran-2-yl-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-propoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 160673227
(3-Chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;(4-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3,5-dimethyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-2-methylpiperazin-1-yl]-[3-(1-methylpyrazol-3-yl)phenyl]methanone
CID 160732839

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone (CID 159123846) is (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is CC1CN(C(=O)c2ccc(Cl)s2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2ccc3ccn(C)c3c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cccc(-c3nccs3)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2cn(C)c3ccccc23)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1CN(C(=O)c2sc3ccccc3c2Cl)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COCc1c(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)C(C)C2)oc2ccccc12.Cc1oc2ccccc2c1C(=O)N1CCN(C(=O)c2ncn(-c3cccc(Cl)c3)n2)C(C)C1.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is KGANLRSTGISXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O4.C24H21ClN6O2S.2C24H23ClN6O2.C24H22ClN5O3.C23H19Cl2N5O2S.C19H17Cl2N5O2S/c1-16-13-29(24(32)22-20(14-34-2)19-8-3-4-9-21(19)35-22)10-11-30(16)25(33)23-27-15-31(28-23)18-7-5-6-17(26)12-18;1-16-14-29(23(32)18-5-2-4-17(12-18)22-26-8-11-34-22)9-10-30(16)24(33)21-27-15-31(28-21)20-7-3-6-19(25)13-20;1-16-13-29(23(32)20-14-28(2)21-9-4-3-8-19(20)21)10-11-30(16)24(33)22-26-15-31(27-22)18-7-5-6-17(25)12-18;1-16-14-29(23(32)18-7-6-17-8-9-28(2)21(17)12-18)10-11-30(16)24(33)22-26-15-31(27-22)20-5-3-4-19(25)13-20;1-15-13-28(23(31)21-16(2)33-20-9-4-3-8-19(20)21)10-11-29(15)24(32)22-26-14-30(27-22)18-7-5-6-17(25)12-18;1-14-12-28(22(31)20-19(25)17-7-2-3-8-18(17)33-20)9-10-29(14)23(32)21-26-13-30(27-21)16-6-4-5-15(24)11-16;1-12-10-24(18(27)15-5-6-16(21)29-15)7-8-25(12)19(28)17-22-11-26(23-17)14-4-2-3-13(20)9-14/h3-9,12,15-16H,10-11,13-14H2,1-2H3;2-8,11-13,15-16H,9-10,14H2,1H3;3-9,12,14-16H,10-11,13H2,1-2H3;3-9,12-13,15-16H,10-11,14H2,1-2H3;3-9,12,14-15H,10-11,13H2,1-2H3;2-8,11,13-14H,9-10,12H2,1H3;2-6,9,11-12H,7-8,10H2,1H3.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone?
(3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 3327.51 g/mol, XLogP of 26.99, 24 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(5-chlorothiophen-2-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(2-methyl-1-benzofuran-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-3-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-(1-methylindol-6-yl)methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3-methylpiperazin-1-yl]-[3-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 159123846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).