(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone

C134H135Br2Cl7F2N34O18 — CID 158951291

IUPAC(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)c(Br)o2)CCN1C(=O)c1ncn(-c2cccc(F)c2)n1.CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCN1C(=O)c1nnn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cccc(C3CCOCC3)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cc(Cl)cc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C(C)(C)C2)oc1C
InChIInChI=1S/C26H29ClN6O3.C23H22Cl2N6O4.C22H21Cl2N5O2.C22H24FN5O3.C21H21Cl2N7O3.C20H18Br2FN5O3/c1-26(2)16-31(24(34)22-8-4-7-21(29-22)18-9-13-36-14-10-18)11-12-32(26)25(35)23-28-17-33(30-23)20-6-3-5-19(27)15-20;1-23(2)13-29(21(32)14-10-17(25)19-18(11-14)34-8-9-35-19)6-7-30(23)22(33)20-26-28-31(27-20)16-5-3-4-15(24)12-16;1-22(2)13-27(20(30)15-5-3-6-16(23)11-15)9-10-28(22)21(31)19-25-14-29(26-19)18-8-4-7-17(24)12-18;1-14-10-18(31-15(14)2)20(29)26-8-9-27(22(3,4)12-26)21(30)19-24-13-28(25-19)17-7-5-6-16(23)11-17;1-21(2)12-28(19(31)16-10-14(23)11-17(24-16)33-3)7-8-29(21)20(32)18-25-27-30(26-18)15-6-4-5-13(22)9-15;1-20(2)10-26(18(29)15-9-14(21)16(22)31-15)6-7-27(20)19(30)17-24-11-28(25-17)13-5-3-4-12(23)8-13/h3-8,15,17-18H,9-14,16H2,1-2H3;3-5,10-12H,6-9,13H2,1-2H3;3-8,11-12,14H,9-10,13H2,1-2H3;5-7,10-11,13H,8-9,12H2,1-4H3;4-6,9-11H,7-8,12H2,1-3H3;3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyJLLNPBQUZVNLSY-UHFFFAOYSA-N
MW2955.75 g/mol
LogP20.30
Rot. Bonds20

About (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone (PubChem CID 158951291) has the molecular formula C134H135Br2Cl7F2N34O18 and a molecular weight of 2955.75 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone
PubChem CID158951291
Molecular FormulaC134H135Br2Cl7F2N34O18
Molecular Weight2955.75 g/mol
Exact Mass2948.68
IUPAC Name(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone
SMILESCC1(C)CN(C(=O)c2cc(Br)c(Br)o2)CCN1C(=O)c1ncn(-c2cccc(F)c2)n1.CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCN1C(=O)c1nnn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cccc(C3CCOCC3)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cc(Cl)cc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C(C)(C)C2)oc1C
InChIInChI=1S/C26H29ClN6O3.C23H22Cl2N6O4.C22H21Cl2N5O2.C22H24FN5O3.C21H21Cl2N7O3.C20H18Br2FN5O3/c1-26(2)16-31(24(34)22-8-4-7-21(29-22)18-9-13-36-14-10-18)11-12-32(26)25(35)23-28-17-33(30-23)20-6-3-5-19(27)15-20;1-23(2)13-29(21(32)14-10-17(25)19-18(11-14)34-8-9-35-19)6-7-30(23)22(33)20-26-28-31(27-20)16-5-3-4-15(24)12-16;1-22(2)13-27(20(30)15-5-3-6-16(23)11-15)9-10-28(22)21(31)19-25-14-29(26-19)18-8-4-7-17(24)12-18;1-14-10-18(31-15(14)2)20(29)26-8-9-27(22(3,4)12-26)21(30)19-24-13-28(25-19)17-7-5-6-16(23)11-17;1-21(2)12-28(19(31)16-10-14(23)11-17(24-16)33-3)7-8-29(21)20(32)18-25-27-30(26-18)15-6-4-5-13(22)9-15;1-20(2)10-26(18(29)15-9-14(21)16(22)31-15)6-7-27(20)19(30)17-24-11-28(25-17)13-5-3-4-12(23)8-13/h3-8,15,17-18H,9-14,16H2,1-2H3;3-5,10-12H,6-9,13H2,1-2H3;3-8,11-12,14H,9-10,13H2,1-2H3;5-7,10-11,13H,8-9,12H2,1-4H3;4-6,9-11H,7-8,12H2,1-3H3;3-5,8-9,11H,6-7,10H2,1-2H3
InChIKeyJLLNPBQUZVNLSY-UHFFFAOYSA-N
XLogP20.30
TPSA542.74 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds20
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002955.75
LogP ≤ 520.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone (CID 158951291) is (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone is CC1(C)CN(C(=O)c2cc(Br)c(Br)o2)CCN1C(=O)c1ncn(-c2cccc(F)c2)n1.CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCN1C(=O)c1nnn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cccc(C3CCOCC3)n2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.CC1(C)CN(C(=O)c2cccc(Cl)c2)CCN1C(=O)c1ncn(-c2cccc(Cl)c2)n1.COc1cc(Cl)cc(C(=O)N2CCN(C(=O)c3nnn(-c4cccc(Cl)c4)n3)C(C)(C)C2)n1.Cc1cc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C(C)(C)C2)oc1C.
What is the InChIKey of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
The InChIKey is JLLNPBQUZVNLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O3.C23H22Cl2N6O4.C22H21Cl2N5O2.C22H24FN5O3.C21H21Cl2N7O3.C20H18Br2FN5O3/c1-26(2)16-31(24(34)22-8-4-7-21(29-22)18-9-13-36-14-10-18)11-12-32(26)25(35)23-28-17-33(30-23)20-6-3-5-19(27)15-20;1-23(2)13-29(21(32)14-10-17(25)19-18(11-14)34-8-9-35-19)6-7-30(23)22(33)20-26-28-31(27-20)16-5-3-4-15(24)12-16;1-22(2)13-27(20(30)15-5-3-6-16(23)11-15)9-10-28(22)21(31)19-25-14-29(26-19)18-8-4-7-17(24)12-18;1-14-10-18(31-15(14)2)20(29)26-8-9-27(22(3,4)12-26)21(30)19-24-13-28(25-19)17-7-5-6-16(23)11-17;1-21(2)12-28(19(31)16-10-14(23)11-17(24-16)33-3)7-8-29(21)20(32)18-25-27-30(26-18)15-6-4-5-13(22)9-15;1-20(2)10-26(18(29)15-9-14(21)16(22)31-15)6-7-27(20)19(30)17-24-11-28(25-17)13-5-3-4-12(23)8-13/h3-8,15,17-18H,9-14,16H2,1-2H3;3-5,10-12H,6-9,13H2,1-2H3;3-8,11-12,14H,9-10,13H2,1-2H3;5-7,10-11,13H,8-9,12H2,1-4H3;4-6,9-11H,7-8,12H2,1-3H3;3-5,8-9,11H,6-7,10H2,1-2H3.
What are the key properties of (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone?
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone has a molecular weight of 2955.75 g/mol, XLogP of 20.30, 20 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4-chloro-6-methoxy-2-pyridinyl)-[4-[2-(3-chlorophenyl)tetrazole-5-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(3-chlorophenyl)-[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;[4-[1-(3-chlorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]-[6-(oxan-4-yl)-2-pyridinyl]methanone;(4,5-dibromofuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone;(4,5-dimethylfuran-2-yl)-[4-[1-(3-fluorophenyl)-1,2,4-triazole-3-carbonyl]-3,3-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 158951291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).