(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid

C145H162BBrN26O35S9 — CID 161463828

IUPAC(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid
SMILESCC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1.CC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N1CC(CO)C1.CC(C)(C)OC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.CN1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1.CN1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.Nc1cc(-c2cccs2)ccc1[N+](=O)[O-].Nc1cc(Br)ccc1[N+](=O)[O-].Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CNC1.O=C(Nc1cc(-c2cccs2)ccc1[N+](=O)[O-])OCC1CNC1.OB(O)c1cccs1
InChIInChI=1S/C20H23N3O6S.C17H17N3O5S.C17H19N3O3S.C16H17N3O4S.C16H19N3O2S.C15H15N3O4S.C15H17N3O2S.C10H8N2O2S.C9H17NO3.C6H5BrN2O2.C4H5BO2S/c1-20(2,3)29-19(25)22-10-13(11-22)12-28-18(24)21-15-9-14(17-5-4-8-30-17)6-7-16(15)23(26)27;1-11(21)19-8-12(9-19)10-25-17(22)18-14-7-13(16-3-2-6-26-16)4-5-15(14)20(23)24;1-11(21)20-8-12(9-20)10-23-17(22)19-15-7-13(4-5-14(15)18)16-3-2-6-24-16;1-18-8-11(9-18)10-23-16(20)17-13-7-12(15-3-2-6-24-15)4-5-14(13)19(21)22;1-19-8-11(9-19)10-21-16(20)18-14-7-12(4-5-13(14)17)15-3-2-6-22-15;19-15(22-9-10-7-16-8-10)17-12-6-11(14-2-1-5-23-14)3-4-13(12)18(20)21;16-12-4-3-11(14-2-1-5-21-14)6-13(12)18-15(19)20-9-10-7-17-8-10;11-8-6-7(10-2-1-5-15-10)3-4-9(8)12(13)14;1-9(2,3)13-8(12)10-4-7(5-10)6-11;7-4-1-2-6(9(10)11)5(8)3-4;6-5(7)4-2-1-3-8-4/h4-9,13H,10-12H2,1-3H3,(H,21,24);2-7,12H,8-10H2,1H3,(H,18,22);2-7,12H,8-10,18H2,1H3,(H,19,22);2-7,11H,8-10H2,1H3,(H,17,20);2-7,11H,8-10,17H2,1H3,(H,18,20);1-6,10,16H,7-9H2,(H,17,19);1-6,10,17H,7-9,16H2,(H,18,19);1-6H,11H2;7,11H,4-6H2,1-3H3;1-3H,8H2;1-3,6-7H
InChIKeyWCDXPVLXDWJHQO-UHFFFAOYSA-N
MW3208.36 g/mol
LogP28.63
Rot. Bonds37

About (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid

(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid (PubChem CID 161463828) has the molecular formula C145H162BBrN26O35S9 and a molecular weight of 3208.36 g/mol. Its IUPAC name is (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid.

Molecular Properties

Compound Name(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid
PubChem CID161463828
Molecular FormulaC145H162BBrN26O35S9
Molecular Weight3208.36 g/mol
Exact Mass3204.85
IUPAC Name(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid
SMILESCC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1.CC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N1CC(CO)C1.CC(C)(C)OC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.CN1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1.CN1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.Nc1cc(-c2cccs2)ccc1[N+](=O)[O-].Nc1cc(Br)ccc1[N+](=O)[O-].Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CNC1.O=C(Nc1cc(-c2cccs2)ccc1[N+](=O)[O-])OCC1CNC1.OB(O)c1cccs1
InChIInChI=1S/C20H23N3O6S.C17H17N3O5S.C17H19N3O3S.C16H17N3O4S.C16H19N3O2S.C15H15N3O4S.C15H17N3O2S.C10H8N2O2S.C9H17NO3.C6H5BrN2O2.C4H5BO2S/c1-20(2,3)29-19(25)22-10-13(11-22)12-28-18(24)21-15-9-14(17-5-4-8-30-17)6-7-16(15)23(26)27;1-11(21)19-8-12(9-19)10-25-17(22)18-14-7-13(16-3-2-6-26-16)4-5-15(14)20(23)24;1-11(21)20-8-12(9-20)10-23-17(22)19-15-7-13(4-5-14(15)18)16-3-2-6-24-16;1-18-8-11(9-18)10-23-16(20)17-13-7-12(15-3-2-6-24-15)4-5-14(13)19(21)22;1-19-8-11(9-19)10-21-16(20)18-14-7-12(4-5-13(14)17)15-3-2-6-22-15;19-15(22-9-10-7-16-8-10)17-12-6-11(14-2-1-5-23-14)3-4-13(12)18(20)21;16-12-4-3-11(14-2-1-5-21-14)6-13(12)18-15(19)20-9-10-7-17-8-10;11-8-6-7(10-2-1-5-15-10)3-4-9(8)12(13)14;1-9(2,3)13-8(12)10-4-7(5-10)6-11;7-4-1-2-6(9(10)11)5(8)3-4;6-5(7)4-2-1-3-8-4/h4-9,13H,10-12H2,1-3H3,(H,21,24);2-7,12H,8-10H2,1H3,(H,18,22);2-7,12H,8-10,18H2,1H3,(H,19,22);2-7,11H,8-10H2,1H3,(H,17,20);2-7,11H,8-10,17H2,1H3,(H,18,20);1-6,10,16H,7-9H2,(H,17,19);1-6,10,17H,7-9,16H2,(H,18,19);1-6H,11H2;7,11H,4-6H2,1-3H3;1-3H,8H2;1-3,6-7H
InChIKeyWCDXPVLXDWJHQO-UHFFFAOYSA-N
XLogP28.63
TPSA848.18 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds37
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003208.36
LogP ≤ 528.63
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid with MolForge

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Related Compounds

(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate
CID 71465770
tert-butyl 3-[(2-methyl-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate
CID 123733676
1-[(1-methylpiperidin-4-yl)methyl]-3-(2-nitro-5-thiophen-2-ylphenyl)urea;1-(2-nitro-5-thiophen-2-ylphenyl)-3-(piperidin-4-ylmethyl)urea
CID 158774005
4-[[(2-nitro-5-thiophen-2-ylphenyl)carbamoylamino]methyl]piperidine-1-carboxylic acid
CID 70982745
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
CID 89158009
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
CID 71465922
tert-butyl 3-(5-bromo-2-nitroanilino)piperidine-1-carboxylate
CID 175907285
3-(2-amino-5-thiophen-2-ylphenyl)-1,1-dimethylurea;tert-butyl N-[2-(dimethylcarbamoylamino)-4-thiophen-2-ylphenyl]carbamate;deuterioethane;2,2,2-trifluoroacetaldehyde
CID 160993478
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
tert-butyl 3-(5-methyl-2-nitroanilino)azetidine-1-carboxylate
CID 103748376
N-(2-nitro-4-thiophen-2-ylphenyl)acetamide
CID 110477271
tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-(ethoxycarbonylamino)-4-thiophen-2-ylphenyl]carbamate;ethyl carbonochloridate
CID 157328097

Frequently Asked Questions

What is the IUPAC name of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid?
The IUPAC name of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid (CID 161463828) is (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid.
What is the SMILES notation for (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid?
The canonical SMILES for (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid is CC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1.CC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N1CC(CO)C1.CC(C)(C)OC(=O)N1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.CN1CC(COC(=O)Nc2cc(-c3cccs3)ccc2N)C1.CN1CC(COC(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])C1.Nc1cc(-c2cccs2)ccc1[N+](=O)[O-].Nc1cc(Br)ccc1[N+](=O)[O-].Nc1ccc(-c2cccs2)cc1NC(=O)OCC1CNC1.O=C(Nc1cc(-c2cccs2)ccc1[N+](=O)[O-])OCC1CNC1.OB(O)c1cccs1.
What is the InChIKey of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid?
The InChIKey is WCDXPVLXDWJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S.C17H17N3O5S.C17H19N3O3S.C16H17N3O4S.C16H19N3O2S.C15H15N3O4S.C15H17N3O2S.C10H8N2O2S.C9H17NO3.C6H5BrN2O2.C4H5BO2S/c1-20(2,3)29-19(25)22-10-13(11-22)12-28-18(24)21-15-9-14(17-5-4-8-30-17)6-7-16(15)23(26)27;1-11(21)19-8-12(9-19)10-25-17(22)18-14-7-13(16-3-2-6-26-16)4-5-15(14)20(23)24;1-11(21)20-8-12(9-20)10-23-17(22)19-15-7-13(4-5-14(15)18)16-3-2-6-24-16;1-18-8-11(9-18)10-23-16(20)17-13-7-12(15-3-2-6-24-15)4-5-14(13)19(21)22;1-19-8-11(9-19)10-21-16(20)18-14-7-12(4-5-13(14)17)15-3-2-6-22-15;19-15(22-9-10-7-16-8-10)17-12-6-11(14-2-1-5-23-14)3-4-13(12)18(20)21;16-12-4-3-11(14-2-1-5-21-14)6-13(12)18-15(19)20-9-10-7-17-8-10;11-8-6-7(10-2-1-5-15-10)3-4-9(8)12(13)14;1-9(2,3)13-8(12)10-4-7(5-10)6-11;7-4-1-2-6(9(10)11)5(8)3-4;6-5(7)4-2-1-3-8-4/h4-9,13H,10-12H2,1-3H3,(H,21,24);2-7,12H,8-10H2,1H3,(H,18,22);2-7,12H,8-10,18H2,1H3,(H,19,22);2-7,11H,8-10H2,1H3,(H,17,20);2-7,11H,8-10,17H2,1H3,(H,18,20);1-6,10,16H,7-9H2,(H,17,19);1-6,10,17H,7-9,16H2,(H,18,19);1-6H,11H2;7,11H,4-6H2,1-3H3;1-3H,8H2;1-3,6-7H.
What are the key properties of (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid?
(1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid has a molecular weight of 3208.36 g/mol, XLogP of 28.63, 37 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-acetylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;azetidin-3-ylmethyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;5-bromo-2-nitroaniline;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate;tert-butyl 3-[(2-nitro-5-thiophen-2-ylphenyl)carbamoyloxymethyl]azetidine-1-carboxylate;(1-methylazetidin-3-yl)methyl N-(2-amino-5-thiophen-2-ylphenyl)carbamate;(1-methylazetidin-3-yl)methyl N-(2-nitro-5-thiophen-2-ylphenyl)carbamate;2-nitro-5-thiophen-2-ylaniline;thiophen-2-ylboronic acid is sourced from PubChem (CID 161463828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).