O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate

C161H140F2N38O23S12 — CID 158060704

IUPACO-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(COC(=S)Nc2ccccc2)cc1.CC(C)NC(=S)OCc1ccc(N=[N+]=[N-])cc1.CCNC(=S)OCc1ccc(N=[N+]=[N-])cc1.COCCN1C(=O)c2cccc3c(NC(=S)OCc4ccc(N=[N+]=[N-])cc4)ccc(c23)C1=O.Cc1cc(=O)oc2cc(NC(=S)OCc3ccc(N=[N+]=[N-])cc3)ccc12.Cc1ccc(NC(=S)OCc2ccc(N=[N+]=[N-])o2)cc1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc(F)cc2)o1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc(N3CCOCC3)cc2)o1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc3c(c2)Oc2ccccc2C32OC(=O)c3ccccc32)cc1.[N-]=[N+]=Nc1ccc(CSC(=S)Sc2ccc(F)cc2)cc1
InChIInChI=1S/C28H18N4O4S.C23H19N5O4S.C18H14N4O3S.C16H17N5O3S.C16H15NO3S.C14H10FN3S3.C13H12N4O2S.C12H9FN4O2S.C11H14N4OS.C10H12N4OS/c29-32-31-18-11-9-17(10-12-18)16-34-27(37)30-19-13-14-23-25(15-19)35-24-8-4-3-7-22(24)28(23)21-6-2-1-5-20(21)26(33)36-28;1-31-12-11-28-21(29)17-4-2-3-16-19(10-9-18(20(16)17)22(28)30)25-23(33)32-13-14-5-7-15(8-6-14)26-27-24;1-11-8-17(23)25-16-9-14(6-7-15(11)16)20-18(26)24-10-12-2-4-13(5-3-12)21-22-19;17-20-19-15-6-5-14(24-15)11-23-16(25)18-12-1-3-13(4-2-12)21-7-9-22-10-8-21;1-12(18)20-15-9-7-13(8-10-15)11-19-16(21)17-14-5-3-2-4-6-14;15-11-3-7-13(8-4-11)21-14(19)20-9-10-1-5-12(6-2-10)17-18-16;1-9-2-4-10(5-3-9)15-13(20)18-8-11-6-7-12(19-11)16-17-14;13-8-1-3-9(4-2-8)15-12(20)18-7-10-5-6-11(19-10)16-17-14;1-8(2)13-11(17)16-7-9-3-5-10(6-4-9)14-15-12;1-2-12-10(16)15-7-8-3-5-9(6-4-8)13-14-11/h1-15H,16H2,(H,30,37);2-10H,11-13H2,1H3,(H,25,33);2-9H,10H2,1H3,(H,20,26);1-6H,7-11H2,(H,18,25);2-10H,11H2,1H3,(H,17,21);1-8H,9H2;2-7H,8H2,1H3,(H,15,20);1-6H,7H2,(H,15,20);3-6,8H,7H2,1-2H3,(H,13,17);3-6H,2,7H2,1H3,(H,12,16)
InChIKeyFKPHVEBMBFLSCJ-UHFFFAOYSA-N
MW3397.93 g/mol
LogP45.76
Rot. Bonds44

About O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate

O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate (PubChem CID 158060704) has the molecular formula C161H140F2N38O23S12 and a molecular weight of 3397.93 g/mol. Its IUPAC name is O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate.

Molecular Properties

Compound NameO-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate
PubChem CID158060704
Molecular FormulaC161H140F2N38O23S12
Molecular Weight3397.93 g/mol
Exact Mass3394.76
IUPAC NameO-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(COC(=S)Nc2ccccc2)cc1.CC(C)NC(=S)OCc1ccc(N=[N+]=[N-])cc1.CCNC(=S)OCc1ccc(N=[N+]=[N-])cc1.COCCN1C(=O)c2cccc3c(NC(=S)OCc4ccc(N=[N+]=[N-])cc4)ccc(c23)C1=O.Cc1cc(=O)oc2cc(NC(=S)OCc3ccc(N=[N+]=[N-])cc3)ccc12.Cc1ccc(NC(=S)OCc2ccc(N=[N+]=[N-])o2)cc1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc(F)cc2)o1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc(N3CCOCC3)cc2)o1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc3c(c2)Oc2ccccc2C32OC(=O)c3ccccc32)cc1.[N-]=[N+]=Nc1ccc(CSC(=S)Sc2ccc(F)cc2)cc1
InChIInChI=1S/C28H18N4O4S.C23H19N5O4S.C18H14N4O3S.C16H17N5O3S.C16H15NO3S.C14H10FN3S3.C13H12N4O2S.C12H9FN4O2S.C11H14N4OS.C10H12N4OS/c29-32-31-18-11-9-17(10-12-18)16-34-27(37)30-19-13-14-23-25(15-19)35-24-8-4-3-7-22(24)28(23)21-6-2-1-5-20(21)26(33)36-28;1-31-12-11-28-21(29)17-4-2-3-16-19(10-9-18(20(16)17)22(28)30)25-23(33)32-13-14-5-7-15(8-6-14)26-27-24;1-11-8-17(23)25-16-9-14(6-7-15(11)16)20-18(26)24-10-12-2-4-13(5-3-12)21-22-19;17-20-19-15-6-5-14(24-15)11-23-16(25)18-12-1-3-13(4-2-12)21-7-9-22-10-8-21;1-12(18)20-15-9-7-13(8-10-15)11-19-16(21)17-14-5-3-2-4-6-14;15-11-3-7-13(8-4-11)21-14(19)20-9-10-1-5-12(6-2-10)17-18-16;1-9-2-4-10(5-3-9)15-13(20)18-8-11-6-7-12(19-11)16-17-14;13-8-1-3-9(4-2-8)15-12(20)18-7-10-5-6-11(19-10)16-17-14;1-8(2)13-11(17)16-7-9-3-5-10(6-4-9)14-15-12;1-2-12-10(16)15-7-8-3-5-9(6-4-8)13-14-11/h1-15H,16H2,(H,30,37);2-10H,11-13H2,1H3,(H,25,33);2-9H,10H2,1H3,(H,20,26);1-6H,7-11H2,(H,18,25);2-10H,11H2,1H3,(H,17,21);1-8H,9H2;2-7H,8H2,1H3,(H,15,20);1-6H,7H2,(H,15,20);3-6,8H,7H2,1-2H3,(H,13,17);3-6H,2,7H2,1H3,(H,12,16)
InChIKeyFKPHVEBMBFLSCJ-UHFFFAOYSA-N
XLogP45.76
TPSA820.72 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds44
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003397.93
LogP ≤ 545.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate with MolForge

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Related Compounds

[6'-[4-[2-(7-azido-2-oxochromen-4-yl)acetyl]piperazin-1-yl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2-benzoylsulfanylbenzoate
CID 132942361
N-[6'-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]morpholine-4-carboxamide
CID 177473276
(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
CID 89432471
benzyl N-[3-methyl-1-[[(2S)-1-[4-[(4-methyl-2-oxochromen-7-yl)carbamoyloxymethyl]anilino]-1-oxo-5-piperidin-1-ylpentan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 130252104
2-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate
CID 541279
O-(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) (benzyldisulfanyl)methanethioate
CID 161321595
(6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate;9-(2-carboxyphenyl)-6-oxoxanthen-3-olate;ethane
CID 159203570
benzyl (3S)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate;hydrochloride
CID 74889748
2-[2-[[(3R)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[[(2S)-1-[2-(2-azidoethoxy)ethylamino]-4-[2-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]ethylamino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoyl]amino]ethylamino]ethylazanium;2-[2-[[(3S)-3-[[(2R)-2-acetamido-4-methylpentanoyl]amino]-4-[2-(2-azidoethoxy)ethylamino]-4-oxobutanoyl]amino]ethylamino]ethylazanium;3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one;dichloride
CID 161476338
N-(4-methyl-2-oxochromen-7-yl)-2-morpholin-4-ylpropanamide
CID 171915554
2-[3-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]propyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 162370927
[3-[[6'-(diethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxycarbonyloxymethyl]-5-methyl-2-[(4-nitrophenyl)methoxy]phenyl]methyl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate
CID 169450202

Frequently Asked Questions

What is the IUPAC name of O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate?
The IUPAC name of O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate (CID 158060704) is O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate.
What is the SMILES notation for O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate?
The canonical SMILES for O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate is CC(=O)Oc1ccc(COC(=S)Nc2ccccc2)cc1.CC(C)NC(=S)OCc1ccc(N=[N+]=[N-])cc1.CCNC(=S)OCc1ccc(N=[N+]=[N-])cc1.COCCN1C(=O)c2cccc3c(NC(=S)OCc4ccc(N=[N+]=[N-])cc4)ccc(c23)C1=O.Cc1cc(=O)oc2cc(NC(=S)OCc3ccc(N=[N+]=[N-])cc3)ccc12.Cc1ccc(NC(=S)OCc2ccc(N=[N+]=[N-])o2)cc1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc(F)cc2)o1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc(N3CCOCC3)cc2)o1.[N-]=[N+]=Nc1ccc(COC(=S)Nc2ccc3c(c2)Oc2ccccc2C32OC(=O)c3ccccc32)cc1.[N-]=[N+]=Nc1ccc(CSC(=S)Sc2ccc(F)cc2)cc1.
What is the InChIKey of O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate?
The InChIKey is FKPHVEBMBFLSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O4S.C23H19N5O4S.C18H14N4O3S.C16H17N5O3S.C16H15NO3S.C14H10FN3S3.C13H12N4O2S.C12H9FN4O2S.C11H14N4OS.C10H12N4OS/c29-32-31-18-11-9-17(10-12-18)16-34-27(37)30-19-13-14-23-25(15-19)35-24-8-4-3-7-22(24)28(23)21-6-2-1-5-20(21)26(33)36-28;1-31-12-11-28-21(29)17-4-2-3-16-19(10-9-18(20(16)17)22(28)30)25-23(33)32-13-14-5-7-15(8-6-14)26-27-24;1-11-8-17(23)25-16-9-14(6-7-15(11)16)20-18(26)24-10-12-2-4-13(5-3-12)21-22-19;17-20-19-15-6-5-14(24-15)11-23-16(25)18-12-1-3-13(4-2-12)21-7-9-22-10-8-21;1-12(18)20-15-9-7-13(8-10-15)11-19-16(21)17-14-5-3-2-4-6-14;15-11-3-7-13(8-4-11)21-14(19)20-9-10-1-5-12(6-2-10)17-18-16;1-9-2-4-10(5-3-9)15-13(20)18-8-11-6-7-12(19-11)16-17-14;13-8-1-3-9(4-2-8)15-12(20)18-7-10-5-6-11(19-10)16-17-14;1-8(2)13-11(17)16-7-9-3-5-10(6-4-9)14-15-12;1-2-12-10(16)15-7-8-3-5-9(6-4-8)13-14-11/h1-15H,16H2,(H,30,37);2-10H,11-13H2,1H3,(H,25,33);2-9H,10H2,1H3,(H,20,26);1-6H,7-11H2,(H,18,25);2-10H,11H2,1H3,(H,17,21);1-8H,9H2;2-7H,8H2,1H3,(H,15,20);1-6H,7H2,(H,15,20);3-6,8H,7H2,1-2H3,(H,13,17);3-6H,2,7H2,1H3,(H,12,16).
What are the key properties of O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate?
O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate has a molecular weight of 3397.93 g/mol, XLogP of 45.76, 44 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5-azidofuran-2-yl)methyl] N-(4-fluorophenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-methylphenyl)carbamothioate;O-[(5-azidofuran-2-yl)methyl] N-(4-morpholin-4-ylphenyl)carbamothioate;O-[(4-azidophenyl)methyl] N-ethylcarbamothioate;O-[(4-azidophenyl)methyl] N-[2-(2-methoxyethyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamothioate;O-[(4-azidophenyl)methyl] N-(4-methyl-2-oxochromen-7-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-(3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)carbamothioate;O-[(4-azidophenyl)methyl] N-propan-2-ylcarbamothioate;(4-azidophenyl)methylsulfanyl-(4-fluorophenyl)sulfanylmethanethione;[4-(phenylcarbamothioyloxymethyl)phenyl] acetate is sourced from PubChem (CID 158060704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).