(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one

C126H116N14O18S7 — CID 161410005

IUPAC(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one
SMILESC#CCOc1ccc(/C=C/C(=O)n2c(=S)oc3cnccc32)cc1C.COc1cc(/C=C/S(=O)(=O)n2c(=O)sc3cnccc32)cc(C)c1C.COc1cc(/C=C/S(=O)(=O)n2c(=S)sc3ccncc32)cc(C)c1C.Cc1ccc(/C=C/C(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3cnccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=O)oc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=S)oc3cnccc32)cc1C
InChIInChI=1S/C19H14N2O3S.C19H20N2O.C18H16N2O3.C18H16N2O2S.C18H18N2O2.C17H16N2O4S2.C17H16N2O3S3/c1-3-10-23-16-6-4-14(11-13(16)2)5-7-18(22)21-15-8-9-20-12-17(15)24-19(21)25;1-14-7-8-16(13-15(14)2)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17;1-10-5-6-12(8-11(10)2)13-9-14(13)17(21)20-15-4-3-7-19-16(15)23-18(20)22;1-10-3-4-12(7-11(10)2)13-8-14(13)17(21)20-15-5-6-19-9-16(15)22-18(20)23;1-13-3-4-15(11-14(13)2)5-6-18(21)20-9-10-22-17-12-19-8-7-16(17)20;1-11-8-13(9-15(23-3)12(11)2)5-7-25(21,22)19-14-4-6-18-10-16(14)24-17(19)20;1-11-8-13(9-15(22-3)12(11)2)5-7-25(20,21)19-14-10-18-6-4-16(14)24-17(19)23/h1,4-9,11-12H,10H2,2H3;3,6-11,13H,4-5,12H2,1-2H3;3-8,13-14H,9H2,1-2H3;3-7,9,13-14H,8H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2*4-10H,1-3H3/b7-5+;10-9+;;;6-5+;2*7-5+
InChIKeyVVILPRHPHKOWIL-BEKDJWKGSA-N
MW2338.86 g/mol
LogP25.56
Rot. Bonds20

About (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one

(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one (PubChem CID 161410005) has the molecular formula C126H116N14O18S7 and a molecular weight of 2338.86 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one
PubChem CID161410005
Molecular FormulaC126H116N14O18S7
Molecular Weight2338.86 g/mol
Exact Mass2336.66
IUPAC Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one
SMILESC#CCOc1ccc(/C=C/C(=O)n2c(=S)oc3cnccc32)cc1C.COc1cc(/C=C/S(=O)(=O)n2c(=O)sc3cnccc32)cc(C)c1C.COc1cc(/C=C/S(=O)(=O)n2c(=S)sc3ccncc32)cc(C)c1C.Cc1ccc(/C=C/C(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3cnccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=O)oc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=S)oc3cnccc32)cc1C
InChIInChI=1S/C19H14N2O3S.C19H20N2O.C18H16N2O3.C18H16N2O2S.C18H18N2O2.C17H16N2O4S2.C17H16N2O3S3/c1-3-10-23-16-6-4-14(11-13(16)2)5-7-18(22)21-15-8-9-20-12-17(15)24-19(21)25;1-14-7-8-16(13-15(14)2)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17;1-10-5-6-12(8-11(10)2)13-9-14(13)17(21)20-15-4-3-7-19-16(15)23-18(20)22;1-10-3-4-12(7-11(10)2)13-8-14(13)17(21)20-15-5-6-19-9-16(15)22-18(20)23;1-13-3-4-15(11-14(13)2)5-6-18(21)20-9-10-22-17-12-19-8-7-16(17)20;1-11-8-13(9-15(23-3)12(11)2)5-7-25(21,22)19-14-4-6-18-10-16(14)24-17(19)20;1-11-8-13(9-15(22-3)12(11)2)5-7-25(20,21)19-14-10-18-6-4-16(14)24-17(19)23/h1,4-9,11-12H,10H2,2H3;3,6-11,13H,4-5,12H2,1-2H3;3-8,13-14H,9H2,1-2H3;3-7,9,13-14H,8H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2*4-10H,1-3H3/b7-5+;10-9+;;;6-5+;2*7-5+
InChIKeyVVILPRHPHKOWIL-BEKDJWKGSA-N
XLogP25.56
TPSA385.47 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.86
LogP ≤ 525.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one (CID 161410005) is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one is C#CCOc1ccc(/C=C/C(=O)n2c(=S)oc3cnccc32)cc1C.COc1cc(/C=C/S(=O)(=O)n2c(=O)sc3cnccc32)cc(C)c1C.COc1cc(/C=C/S(=O)(=O)n2c(=S)sc3ccncc32)cc(C)c1C.Cc1ccc(/C=C/C(=O)N2CCCc3ncccc32)cc1C.Cc1ccc(/C=C/C(=O)N2CCOc3cnccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=O)oc3ncccc32)cc1C.Cc1ccc(C2CC2C(=O)n2c(=S)oc3cnccc32)cc1C.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one?
The InChIKey is VVILPRHPHKOWIL-BEKDJWKGSA-N. The full InChI is InChI=1S/C19H14N2O3S.C19H20N2O.C18H16N2O3.C18H16N2O2S.C18H18N2O2.C17H16N2O4S2.C17H16N2O3S3/c1-3-10-23-16-6-4-14(11-13(16)2)5-7-18(22)21-15-8-9-20-12-17(15)24-19(21)25;1-14-7-8-16(13-15(14)2)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17;1-10-5-6-12(8-11(10)2)13-9-14(13)17(21)20-15-4-3-7-19-16(15)23-18(20)22;1-10-3-4-12(7-11(10)2)13-8-14(13)17(21)20-15-5-6-19-9-16(15)22-18(20)23;1-13-3-4-15(11-14(13)2)5-6-18(21)20-9-10-22-17-12-19-8-7-16(17)20;1-11-8-13(9-15(23-3)12(11)2)5-7-25(21,22)19-14-4-6-18-10-16(14)24-17(19)20;1-11-8-13(9-15(22-3)12(11)2)5-7-25(20,21)19-14-10-18-6-4-16(14)24-17(19)23/h1,4-9,11-12H,10H2,2H3;3,6-11,13H,4-5,12H2,1-2H3;3-8,13-14H,9H2,1-2H3;3-7,9,13-14H,8H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2*4-10H,1-3H3/b7-5+;10-9+;;;6-5+;2*7-5+.
What are the key properties of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one?
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one has a molecular weight of 2338.86 g/mol, XLogP of 25.56, 20 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;(E)-1-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)-3-(3,4-dimethylphenyl)prop-2-en-1-one;1-[2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-[1,3]oxazolo[5,4-b]pyridin-2-one;[2-(3,4-dimethylphenyl)cyclopropyl]-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)methanone;3-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[4,5-c]pyridine-2-thione;1-[(E)-2-(3-methoxy-4,5-dimethylphenyl)ethenyl]sulfonyl-[1,3]thiazolo[5,4-c]pyridin-2-one;(E)-3-(3-methyl-4-prop-2-ynoxyphenyl)-1-(2-sulfanylidene-[1,3]oxazolo[5,4-c]pyridin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 161410005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).