acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride

C117H152Cl2N30O18S4 — CID 160930906

IUPACacetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride
SMILESCC#N.CCc1ccc(CO)cc1.CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1.CCc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1.CCc1ccc(Cn2c(=O)nc(SC)n(Cc3ccc(OC)cc3)c2=O)cc1.CO.COc1ccc(C/N=C(/N)SC)cc1.COc1ccc(CNC(N)=S)cc1.COc1ccc(Cn2c(SC)nc(=O)[nH]c2=O)cc1.Cl.NCCN.O=C=NC(=O)Cl.[H]/N=C(\N)n1cccn1
InChIInChI=1S/C23H29N7O3.C22H27N5O3.C21H23N3O3S.C12H13N3O3S.C10H14N2OS.C9H12N2OS.C9H12O.C4H6N4.C2ClNO2.C2H8N2.C2H3N.CH4O.ClH/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18;1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18;1-4-15-5-7-16(8-6-15)13-23-19(25)22-20(28-3)24(21(23)26)14-17-9-11-18(27-2)12-10-17;1-18-9-5-3-8(4-6-9)7-15-11(17)13-10(16)14-12(15)19-2;1-13-9-5-3-8(4-6-9)7-12-10(11)14-2;1-12-8-4-2-7(3-5-8)6-11-9(10)13;1-2-8-3-5-9(7-10)6-4-8;5-4(6)8-3-1-2-7-8;3-2(6)4-1-5;3-1-2-4;1-2-3;1-2;/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31);4-11H,3,12-15,23H2,1-2H3,(H,24,25,28);5-12H,4,13-14H2,1-3H3;3-6H,7H2,1-2H3,(H,13,16,17);3-6H,7H2,1-2H3,(H2,11,12);2-5H,6H2,1H3,(H3,10,11,13);3-6,10H,2,7H2,1H3;1-3H,(H3,5,6);;1-4H2;1H3;2H,1H3;1H
InChIKeyYVSSDXBEJCVWQS-UHFFFAOYSA-N
MW2465.87 g/mol
LogP10.12
Rot. Bonds39

About acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride

acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride (PubChem CID 160930906) has the molecular formula C117H152Cl2N30O18S4 and a molecular weight of 2465.87 g/mol. Its IUPAC name is acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Nameacetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride
PubChem CID160930906
Molecular FormulaC117H152Cl2N30O18S4
Molecular Weight2465.87 g/mol
Exact Mass2463.02
IUPAC Nameacetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride
SMILESCC#N.CCc1ccc(CO)cc1.CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1.CCc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1.CCc1ccc(Cn2c(=O)nc(SC)n(Cc3ccc(OC)cc3)c2=O)cc1.CO.COc1ccc(C/N=C(/N)SC)cc1.COc1ccc(CNC(N)=S)cc1.COc1ccc(Cn2c(SC)nc(=O)[nH]c2=O)cc1.Cl.NCCN.O=C=NC(=O)Cl.[H]/N=C(\N)n1cccn1
InChIInChI=1S/C23H29N7O3.C22H27N5O3.C21H23N3O3S.C12H13N3O3S.C10H14N2OS.C9H12N2OS.C9H12O.C4H6N4.C2ClNO2.C2H8N2.C2H3N.CH4O.ClH/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18;1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18;1-4-15-5-7-16(8-6-15)13-23-19(25)22-20(28-3)24(21(23)26)14-17-9-11-18(27-2)12-10-17;1-18-9-5-3-8(4-6-9)7-15-11(17)13-10(16)14-12(15)19-2;1-13-9-5-3-8(4-6-9)7-12-10(11)14-2;1-12-8-4-2-7(3-5-8)6-11-9(10)13;1-2-8-3-5-9(7-10)6-4-8;5-4(6)8-3-1-2-7-8;3-2(6)4-1-5;3-1-2-4;1-2-3;1-2;/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31);4-11H,3,12-15,23H2,1-2H3,(H,24,25,28);5-12H,4,13-14H2,1-3H3;3-6H,7H2,1-2H3,(H,13,16,17);3-6H,7H2,1-2H3,(H2,11,12);2-5H,6H2,1H3,(H3,10,11,13);3-6,10H,2,7H2,1H3;1-3H,(H3,5,6);;1-4H2;1H3;2H,1H3;1H
InChIKeyYVSSDXBEJCVWQS-UHFFFAOYSA-N
XLogP10.12
TPSA715.19 Ų
H-Bond Donors15
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.87
LogP ≤ 510.12
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride with MolForge

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Related Compounds

2-[2-[[5-[(4-iodophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677480
2-[2-[[5-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;2-[2-[[1-[(4-methoxyphenyl)methyl]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 157365685
N-[4-[[3-benzyl-6-[2-(diaminomethylideneamino)ethylamino]-2,4-dioxo-1,3,5-triazin-1-yl]methyl]phenyl]acetamide
CID 11950855
2-aminoacetic acid;tert-butyl N-(diaminomethylidene)carbamate;tert-butyl N-[N-[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]acetyl]carbamimidoyl]carbamate;2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]acetic acid;3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione
CID 158086236
2-[2-[[5-[(3,4-dichlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]-1-phenylguanidine
CID 56595924
2-[2-[[5-[(3,5-dichlorophenyl)methyl]-4,6-dioxo-1-[(4-propylphenyl)methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 11951201
2-[2-[[1-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-5-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;2-[2-[[1-[(4-hydroxyphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;methanol;oxolane
CID 159020612
tert-butyl (NE)-N-[amino-[[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]acetyl]amino]methylidene]carbamate
CID 59550708
1-cyclohexyl-2-[2-[[5-[(3,4-dichlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 56595923
2,2,2-trifluoro-N-[1-[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]benzimidazol-2-yl]acetamide
CID 42605737
2-[2-[[3-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]ethyl]guanidine
CID 91084536
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 25403788

Frequently Asked Questions

What is the IUPAC name of acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride?
The IUPAC name of acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride (CID 160930906) is acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride.
What is the SMILES notation for acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride?
The canonical SMILES for acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride is CC#N.CCc1ccc(CO)cc1.CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1.CCc1ccc(Cn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1.CCc1ccc(Cn2c(=O)nc(SC)n(Cc3ccc(OC)cc3)c2=O)cc1.CO.COc1ccc(C/N=C(/N)SC)cc1.COc1ccc(CNC(N)=S)cc1.COc1ccc(Cn2c(SC)nc(=O)[nH]c2=O)cc1.Cl.NCCN.O=C=NC(=O)Cl.[H]/N=C(\N)n1cccn1.
What is the InChIKey of acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride?
The InChIKey is YVSSDXBEJCVWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O3.C22H27N5O3.C21H23N3O3S.C12H13N3O3S.C10H14N2OS.C9H12N2OS.C9H12O.C4H6N4.C2ClNO2.C2H8N2.C2H3N.CH4O.ClH/c1-3-16-4-6-17(7-5-16)15-30-22(31)28-21(27-13-12-26-20(24)25)29(23(30)32)14-18-8-10-19(33-2)11-9-18;1-3-16-4-6-17(7-5-16)15-27-21(28)25-20(24-13-12-23)26(22(27)29)14-18-8-10-19(30-2)11-9-18;1-4-15-5-7-16(8-6-15)13-23-19(25)22-20(28-3)24(21(23)26)14-17-9-11-18(27-2)12-10-17;1-18-9-5-3-8(4-6-9)7-15-11(17)13-10(16)14-12(15)19-2;1-13-9-5-3-8(4-6-9)7-12-10(11)14-2;1-12-8-4-2-7(3-5-8)6-11-9(10)13;1-2-8-3-5-9(7-10)6-4-8;5-4(6)8-3-1-2-7-8;3-2(6)4-1-5;3-1-2-4;1-2-3;1-2;/h4-11H,3,12-15H2,1-2H3,(H4,24,25,26)(H,27,28,31);4-11H,3,12-15,23H2,1-2H3,(H,24,25,28);5-12H,4,13-14H2,1-3H3;3-6H,7H2,1-2H3,(H,13,16,17);3-6H,7H2,1-2H3,(H2,11,12);2-5H,6H2,1H3,(H3,10,11,13);3-6,10H,2,7H2,1H3;1-3H,(H3,5,6);;1-4H2;1H3;2H,1H3;1H.
What are the key properties of acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride?
acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride has a molecular weight of 2465.87 g/mol, XLogP of 10.12, 39 rotatable bonds, 15 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;6-(2-aminoethylamino)-3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;ethane-1,2-diamine;(4-ethylphenyl)methanol;2-[2-[[5-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;3-[(4-ethylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;methanol;1-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-1,3,5-triazine-2,4-dione;(4-methoxyphenyl)methylthiourea;methyl N'-[(4-methoxyphenyl)methyl]carbamimidothioate;N-(oxomethylidene)carbamoyl chloride;pyrazole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 160930906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).