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

C67H58F6N16O9S3 — CID 159528686

IUPAC1-[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
SMILESCn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccc(CN2CCCCC2)cc1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccs1.O=C(CO)c1cc(F)c(Cn2nnc(-c3ccco3)n2)c(F)c1.O=C(CO)c1ccc(Cn2nnnc2-c2ccccn2)cc1
InChIInChI=1S/C23H24F2N4O2S.C15H11F2N3O2S2.C15H13N5O2.C14H10F2N4O3/c1-28-22(16-7-5-15(6-8-16)13-29-9-3-2-4-10-29)26-27-23(28)32-21-18(24)11-17(12-19(21)25)20(31)14-30;1-20-14(12-3-2-4-23-12)18-19-15(20)24-13-9(16)5-8(6-10(13)17)11(22)7-21;21-10-14(22)12-6-4-11(5-7-12)9-20-15(17-18-19-20)13-3-1-2-8-16-13;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-18-14(17-19-20)13-2-1-3-23-13/h5-8,11-12,30H,2-4,9-10,13-14H2,1H3;2-6,21H,7H2,1H3;1-8,21H,9-10H2;1-5,21H,6-7H2
InChIKeyMCSDCQQZLRYLBG-UHFFFAOYSA-N
MW1441.49 g/mol
LogP9.61
Rot. Bonds22

About 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

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 (PubChem CID 159528686) has the molecular formula C67H58F6N16O9S3 and a molecular weight of 1441.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159528686
Molecular FormulaC67H58F6N16O9S3
Molecular Weight1441.49 g/mol
Exact Mass1440.36
IUPAC Name1-[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
SMILESCn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccc(CN2CCCCC2)cc1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccs1.O=C(CO)c1cc(F)c(Cn2nnc(-c3ccco3)n2)c(F)c1.O=C(CO)c1ccc(Cn2nnnc2-c2ccccn2)cc1
InChIInChI=1S/C23H24F2N4O2S.C15H11F2N3O2S2.C15H13N5O2.C14H10F2N4O3/c1-28-22(16-7-5-15(6-8-16)13-29-9-3-2-4-10-29)26-27-23(28)32-21-18(24)11-17(12-19(21)25)20(31)14-30;1-20-14(12-3-2-4-23-12)18-19-15(20)24-13-9(16)5-8(6-10(13)17)11(22)7-21;21-10-14(22)12-6-4-11(5-7-12)9-20-15(17-18-19-20)13-3-1-2-8-16-13;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-18-14(17-19-20)13-2-1-3-23-13/h5-8,11-12,30H,2-4,9-10,13-14H2,1H3;2-6,21H,7H2,1H3;1-8,21H,9-10H2;1-5,21H,6-7H2
InChIKeyMCSDCQQZLRYLBG-UHFFFAOYSA-N
XLogP9.61
TPSA327.09 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001441.49
LogP ≤ 59.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 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 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-[[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
2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid
CID 157173777
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;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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ccc(CN2CCCCC2)cc1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccs1.O=C(CO)c1cc(F)c(Cn2nnc(-c3ccco3)n2)c(F)c1.O=C(CO)c1ccc(Cn2nnnc2-c2ccccn2)cc1.
What is the InChIKey of 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?
The InChIKey is MCSDCQQZLRYLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S.C15H11F2N3O2S2.C15H13N5O2.C14H10F2N4O3/c1-28-22(16-7-5-15(6-8-16)13-29-9-3-2-4-10-29)26-27-23(28)32-21-18(24)11-17(12-19(21)25)20(31)14-30;1-20-14(12-3-2-4-23-12)18-19-15(20)24-13-9(16)5-8(6-10(13)17)11(22)7-21;21-10-14(22)12-6-4-11(5-7-12)9-20-15(17-18-19-20)13-3-1-2-8-16-13;15-10-4-8(12(22)7-21)5-11(16)9(10)6-20-18-14(17-19-20)13-2-1-3-23-13/h5-8,11-12,30H,2-4,9-10,13-14H2,1H3;2-6,21H,7H2,1H3;1-8,21H,9-10H2;1-5,21H,6-7H2.
What are the key properties of 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?
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 has a molecular weight of 1441.49 g/mol, XLogP of 9.61, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159528686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).