1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone

C74H58F12N18O10S2 — CID 161379955

IUPAC1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1cc(F)c(Cn2nnc(Cc3ccccn3)n2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2ccc(C(F)(F)F)cn2)c(F)c1.O=C(CO)c1cc(F)c(Sc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(F)c1.O=C(CO)c1cc(F)c(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1
InChIInChI=1S/C22H21F3N4O3S.C20H14F2N4O3S.C16H10F5N5O2.C16H13F2N5O2/c23-16-3-1-14(2-4-16)21-26-27-22(29(21)6-5-28-7-9-32-10-8-28)33-20-17(24)11-15(12-18(20)25)19(31)13-30;21-14-8-12(17(28)11-27)9-15(22)18(14)30-20-25-24-19(16-5-1-2-6-23-16)26(20)10-13-4-3-7-29-13;17-11-3-8(14(28)7-27)4-12(18)10(11)6-26-15(23-24-25-26)13-2-1-9(5-22-13)16(19,20)21;17-13-5-10(15(25)9-24)6-14(18)12(13)8-23-21-16(20-22-23)7-11-3-1-2-4-19-11/h1-4,11-12,30H,5-10,13H2;1-9,27H,10-11H2;1-5,27H,6-7H2;1-6,24H,7-9H2
InChIKeyVROZNUJCDIXMNF-UHFFFAOYSA-N
MW1651.50 g/mol
LogP10.02
Rot. Bonds26

About 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone

1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone (PubChem CID 161379955) has the molecular formula C74H58F12N18O10S2 and a molecular weight of 1651.50 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone
PubChem CID161379955
Molecular FormulaC74H58F12N18O10S2
Molecular Weight1651.50 g/mol
Exact Mass1650.38
IUPAC Name1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1cc(F)c(Cn2nnc(Cc3ccccn3)n2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2ccc(C(F)(F)F)cn2)c(F)c1.O=C(CO)c1cc(F)c(Sc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(F)c1.O=C(CO)c1cc(F)c(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1
InChIInChI=1S/C22H21F3N4O3S.C20H14F2N4O3S.C16H10F5N5O2.C16H13F2N5O2/c23-16-3-1-14(2-4-16)21-26-27-22(29(21)6-5-28-7-9-32-10-8-28)33-20-17(24)11-15(12-18(20)25)19(31)13-30;21-14-8-12(17(28)11-27)9-15(22)18(14)30-20-25-24-19(16-5-1-2-6-23-16)26(20)10-13-4-3-7-29-13;17-11-3-8(14(28)7-27)4-12(18)10(11)6-26-15(23-24-25-26)13-2-1-9(5-22-13)16(19,20)21;17-13-5-10(15(25)9-24)6-14(18)12(13)8-23-21-16(20-22-23)7-11-3-1-2-4-19-11/h1-4,11-12,30H,5-10,13H2;1-9,27H,10-11H2;1-5,27H,6-7H2;1-6,24H,7-9H2
InChIKeyVROZNUJCDIXMNF-UHFFFAOYSA-N
XLogP10.02
TPSA362.10 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001651.50
LogP ≤ 510.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone with MolForge

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Related Compounds

1-[3,5-Difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]phenyl]ethanone
CID 159516662
1-[3,5-Difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone
CID 159516665
2-[[5-Benzylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[5-[(2,6-difluorophenyl)methylsulfanyl]-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]pyridine;2-[[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]pyridine;2-[[4-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]pyridine;2-[4-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 161326171
4-[[5-[5-(diethylaminomethyl)furan-2-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide;4-[[5-[5-(diethylaminomethyl)-2-methylfuran-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide;3,5-difluoro-N-hydroxy-4-[[4-methyl-5-[5-(piperidin-1-ylmethyl)furan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]benzamide;3,5-difluoro-N-hydroxy-4-[[4-methyl-5-[6-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]benzamide;N-hydroxy-4-[[4-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]benzamide;2-hydroxy-1-[4-[(5-phenyltetrazol-1-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyltetrazol-2-yl)methyl]phenyl]ethanone
CID 157249152
4-[[5-[5-(diethylaminomethyl)furan-2-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide;4-[[5-[5-(diethylaminomethyl)-2-methylfuran-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide;3,5-difluoro-N-hydroxy-4-[[4-methyl-5-[5-(piperidin-1-ylmethyl)furan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]benzamide;3,5-difluoro-N-hydroxy-4-[[4-methyl-5-[6-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]-1,2,4-triazol-3-yl]sulfanyl]benzamide;4-[[5-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide;N-hydroxy-4-[[4-methyl-5-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]benzamide;2-hydroxy-1-[4-[(5-phenyltetrazol-2-yl)methyl]phenyl]ethanone
CID 157979943
1-[3,5-Difluoro-4-[[4-methyl-5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-thiophen-2-yltetrazol-1-yl)methyl]phenyl]ethanone
CID 158902651
1-[3,5-Difluoro-4-[[5-(furan-2-yl)tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-quinolin-2-yltetrazol-1-yl)methyl]phenyl]ethanone
CID 159193498
1-[3,5-Difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone
CID 159528686
1-[3,5-Difluoro-4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one;2-hydroxy-1-[4-[[5-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]ethanone;2-hydroxy-1-[4-[(5-pyridin-2-yltetrazol-1-yl)methyl]phenyl]ethanone
CID 159868441
1-[4-[[5-(1-Benzyl-4-phenylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone
CID 160116042
1-[4-[[4-Benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone
CID 161156252

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone (CID 161379955) is 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone is O=C(CO)c1cc(F)c(Cn2nnc(Cc3ccccn3)n2)c(F)c1.O=C(CO)c1cc(F)c(Cn2nnnc2-c2ccc(C(F)(F)F)cn2)c(F)c1.O=C(CO)c1cc(F)c(Sc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)c(F)c1.O=C(CO)c1cc(F)c(Sc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone?
The InChIKey is VROZNUJCDIXMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S.C20H14F2N4O3S.C16H10F5N5O2.C16H13F2N5O2/c23-16-3-1-14(2-4-16)21-26-27-22(29(21)6-5-28-7-9-32-10-8-28)33-20-17(24)11-15(12-18(20)25)19(31)13-30;21-14-8-12(17(28)11-27)9-15(22)18(14)30-20-25-24-19(16-5-1-2-6-23-16)26(20)10-13-4-3-7-29-13;17-11-3-8(14(28)7-27)4-12(18)10(11)6-26-15(23-24-25-26)13-2-1-9(5-22-13)16(19,20)21;17-13-5-10(15(25)9-24)6-14(18)12(13)8-23-21-16(20-22-23)7-11-3-1-2-4-19-11/h1-4,11-12,30H,5-10,13H2;1-9,27H,10-11H2;1-5,27H,6-7H2;1-6,24H,7-9H2.
What are the key properties of 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone?
1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone has a molecular weight of 1651.50 g/mol, XLogP of 10.02, 26 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 161379955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).