sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide

C158H188Cl9F3N8NaO45P9S3 — CID 160789422

IUPACsodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide
SMILESC=CCP(=O)(Cl)Cl.C=CCP(=O)(Cl)Oc1ccccc1.C=CCP(=O)(O)Oc1ccccc1.C=CCP(=O)(Oc1ccccc1)O[C@@H](C)C(=O)OCC.C=CCP(=O)(Oc1ccccc1)Oc1ccccc1.CC(C)c1[nH]c(CO)nc1Sc1cc(Cl)cc(Cl)c1.CCOC(=O)[C@@H](C)O.CCOC(=O)[C@H](C)OP(=O)(CC=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CCNC(=O)C(F)(F)F)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CCNc1ccc(Cn2c(COC(N)=O)nc(C(C)C)c2Sc2cc(Cl)cc(Cl)c2)cc1)Oc1ccccc1.O=C(NCCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1.O=S(Cl)Cl.Oc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C34H39Cl2N4O7PS.C22H22NO5P.C15H19F3NO6P.C15H15O3P.C14H19O5P.C13H14Cl2N2OS.C13H17O6P.C9H10ClO2P.C9H11O3P.C6H6O.C5H10O3.C3H5Cl2OP.Cl2OS.Na.H2O/c1-5-44-33(41)23(4)46-48(43,47-28-9-7-6-8-10-28)16-15-38-27-13-11-24(12-14-27)20-40-30(21-45-34(37)42)39-31(22(2)3)32(40)49-29-18-25(35)17-26(36)19-29;24-22(26-18-19-10-4-1-5-11-19)23-16-17-29(25,27-20-12-6-2-7-13-20)28-21-14-8-3-9-15-21;1-3-23-13(20)11(2)24-26(22,25-12-7-5-4-6-8-12)10-9-19-14(21)15(16,17)18;1-2-13-19(16,17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15;1-4-11-20(16,18-12(3)14(15)17-5-2)19-13-9-7-6-8-10-13;1-7(2)12-13(17-11(6-18)16-12)19-10-4-8(14)3-9(15)5-10;1-3-17-13(15)11(2)18-20(16,10-9-14)19-12-7-5-4-6-8-12;2*1-2-8-13(10,11)12-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;1-3-8-5(7)4(2)6;1-2-3-7(4,5)6;1-4(2)3;;/h6-14,17-19,22-23,38H,5,15-16,20-21H2,1-4H3,(H2,37,42);1-15H,16-18H2,(H,23,24);4-8,11H,3,9-10H2,1-2H3,(H,19,21);2-12H,1,13H2;4,6-10,12H,1,5,11H2,2-3H3;3-5,7,18H,6H2,1-2H3,(H,16,17);4-9,11H,3,10H2,1-2H3;2-7H,1,8H2;2-7H,1,8H2,(H,10,11);1-5,7H;4,6H,3H2,1-2H3;2H,1,3H2;;;1H2/q;;;;;;;;;;;;;+1;/p-1/t23-,48?;;11-,26?;;12-,20?;;11-,20?;;;;4-;;;;/m0.0.0.0...1..../s1
InChIKeySBQIKJNBFCAINV-JYRRYKCESA-M
MW3693.28 g/mol
LogP39.93
Rot. Bonds73

About sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide

sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide (PubChem CID 160789422) has the molecular formula C158H188Cl9F3N8NaO45P9S3 and a molecular weight of 3693.28 g/mol. Its IUPAC name is sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide.

Molecular Properties

Compound Namesodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide
PubChem CID160789422
Molecular FormulaC158H188Cl9F3N8NaO45P9S3
Molecular Weight3693.28 g/mol
Exact Mass3686.65
IUPAC Namesodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide
SMILESC=CCP(=O)(Cl)Cl.C=CCP(=O)(Cl)Oc1ccccc1.C=CCP(=O)(O)Oc1ccccc1.C=CCP(=O)(Oc1ccccc1)O[C@@H](C)C(=O)OCC.C=CCP(=O)(Oc1ccccc1)Oc1ccccc1.CC(C)c1[nH]c(CO)nc1Sc1cc(Cl)cc(Cl)c1.CCOC(=O)[C@@H](C)O.CCOC(=O)[C@H](C)OP(=O)(CC=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CCNC(=O)C(F)(F)F)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CCNc1ccc(Cn2c(COC(N)=O)nc(C(C)C)c2Sc2cc(Cl)cc(Cl)c2)cc1)Oc1ccccc1.O=C(NCCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1.O=S(Cl)Cl.Oc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C34H39Cl2N4O7PS.C22H22NO5P.C15H19F3NO6P.C15H15O3P.C14H19O5P.C13H14Cl2N2OS.C13H17O6P.C9H10ClO2P.C9H11O3P.C6H6O.C5H10O3.C3H5Cl2OP.Cl2OS.Na.H2O/c1-5-44-33(41)23(4)46-48(43,47-28-9-7-6-8-10-28)16-15-38-27-13-11-24(12-14-27)20-40-30(21-45-34(37)42)39-31(22(2)3)32(40)49-29-18-25(35)17-26(36)19-29;24-22(26-18-19-10-4-1-5-11-19)23-16-17-29(25,27-20-12-6-2-7-13-20)28-21-14-8-3-9-15-21;1-3-23-13(20)11(2)24-26(22,25-12-7-5-4-6-8-12)10-9-19-14(21)15(16,17)18;1-2-13-19(16,17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15;1-4-11-20(16,18-12(3)14(15)17-5-2)19-13-9-7-6-8-10-13;1-7(2)12-13(17-11(6-18)16-12)19-10-4-8(14)3-9(15)5-10;1-3-17-13(15)11(2)18-20(16,10-9-14)19-12-7-5-4-6-8-12;2*1-2-8-13(10,11)12-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;1-3-8-5(7)4(2)6;1-2-3-7(4,5)6;1-4(2)3;;/h6-14,17-19,22-23,38H,5,15-16,20-21H2,1-4H3,(H2,37,42);1-15H,16-18H2,(H,23,24);4-8,11H,3,9-10H2,1-2H3,(H,19,21);2-12H,1,13H2;4,6-10,12H,1,5,11H2,2-3H3;3-5,7,18H,6H2,1-2H3,(H,16,17);4-9,11H,3,10H2,1-2H3;2-7H,1,8H2;2-7H,1,8H2,(H,10,11);1-5,7H;4,6H,3H2,1-2H3;2H,1,3H2;;;1H2/q;;;;;;;;;;;;;+1;/p-1/t23-,48?;;11-,26?;;12-,20?;;11-,20?;;;;4-;;;;/m0.0.0.0...1..../s1
InChIKeySBQIKJNBFCAINV-JYRRYKCESA-M
XLogP39.93
TPSA737.69 Ų
H-Bond Donors9
H-Bond Acceptors50
Rotatable Bonds73
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003693.28
LogP ≤ 539.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide?
The IUPAC name of sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide (CID 160789422) is sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide.
What is the SMILES notation for sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide?
The canonical SMILES for sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide is C=CCP(=O)(Cl)Cl.C=CCP(=O)(Cl)Oc1ccccc1.C=CCP(=O)(O)Oc1ccccc1.C=CCP(=O)(Oc1ccccc1)O[C@@H](C)C(=O)OCC.C=CCP(=O)(Oc1ccccc1)Oc1ccccc1.CC(C)c1[nH]c(CO)nc1Sc1cc(Cl)cc(Cl)c1.CCOC(=O)[C@@H](C)O.CCOC(=O)[C@H](C)OP(=O)(CC=O)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CCNC(=O)C(F)(F)F)Oc1ccccc1.CCOC(=O)[C@H](C)OP(=O)(CCNc1ccc(Cn2c(COC(N)=O)nc(C(C)C)c2Sc2cc(Cl)cc(Cl)c2)cc1)Oc1ccccc1.O=C(NCCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1.O=S(Cl)Cl.Oc1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide?
The InChIKey is SBQIKJNBFCAINV-JYRRYKCESA-M. The full InChI is InChI=1S/C34H39Cl2N4O7PS.C22H22NO5P.C15H19F3NO6P.C15H15O3P.C14H19O5P.C13H14Cl2N2OS.C13H17O6P.C9H10ClO2P.C9H11O3P.C6H6O.C5H10O3.C3H5Cl2OP.Cl2OS.Na.H2O/c1-5-44-33(41)23(4)46-48(43,47-28-9-7-6-8-10-28)16-15-38-27-13-11-24(12-14-27)20-40-30(21-45-34(37)42)39-31(22(2)3)32(40)49-29-18-25(35)17-26(36)19-29;24-22(26-18-19-10-4-1-5-11-19)23-16-17-29(25,27-20-12-6-2-7-13-20)28-21-14-8-3-9-15-21;1-3-23-13(20)11(2)24-26(22,25-12-7-5-4-6-8-12)10-9-19-14(21)15(16,17)18;1-2-13-19(16,17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15;1-4-11-20(16,18-12(3)14(15)17-5-2)19-13-9-7-6-8-10-13;1-7(2)12-13(17-11(6-18)16-12)19-10-4-8(14)3-9(15)5-10;1-3-17-13(15)11(2)18-20(16,10-9-14)19-12-7-5-4-6-8-12;2*1-2-8-13(10,11)12-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;1-3-8-5(7)4(2)6;1-2-3-7(4,5)6;1-4(2)3;;/h6-14,17-19,22-23,38H,5,15-16,20-21H2,1-4H3,(H2,37,42);1-15H,16-18H2,(H,23,24);4-8,11H,3,9-10H2,1-2H3,(H,19,21);2-12H,1,13H2;4,6-10,12H,1,5,11H2,2-3H3;3-5,7,18H,6H2,1-2H3,(H,16,17);4-9,11H,3,10H2,1-2H3;2-7H,1,8H2;2-7H,1,8H2,(H,10,11);1-5,7H;4,6H,3H2,1-2H3;2H,1,3H2;;;1H2/q;;;;;;;;;;;;;+1;/p-1/t23-,48?;;11-,26?;;12-,20?;;11-,20?;;;;4-;;;;/m0.0.0.0...1..../s1.
What are the key properties of sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide?
sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide has a molecular weight of 3693.28 g/mol, XLogP of 39.93, 73 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzyl N-(2-diphenoxyphosphorylethyl)carbamate;[chloro(prop-2-enyl)phosphoryl]oxybenzene;[4-(3,5-dichlorophenyl)sulfanyl-5-propan-2-yl-1H-imidazol-2-yl]methanol;3-dichlorophosphorylprop-1-ene;ethyl (2S)-2-[2-[4-[[2-(carbamoyloxymethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]anilino]ethyl-phenoxyphosphoryl]oxypropanoate;ethyl (2R)-2-hydroxypropanoate;ethyl (2S)-2-[2-oxoethyl(phenoxy)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy(prop-2-enyl)phosphoryl]oxypropanoate;ethyl (2S)-2-[phenoxy-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phosphoryl]oxypropanoate;phenol;phenoxy(prop-2-enyl)phosphinic acid;[phenoxy(prop-2-enyl)phosphoryl]oxybenzene;thionyl dichloride;hydroxide is sourced from PubChem (CID 160789422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).