5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile

C162H180BrFN28O26S6Si — CID 159132394

IUPAC5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CN)c1ccc(O)c2c1C=CC(=O)C2.N#Cc1ccc(F)c([N+](=O)[O-])c1.N#Cc1ccc(NCCCO)c(N)c1.N#Cc1ccc(NCCCO)c([N+](=O)[O-])c1.N#Cc1ccc2c(c1)nnn2CCCO.O=C(OC1CC2(CCNCC2)C1)C(O)(c1cccs1)c1cccs1.O=C1C=Cc2c([C@@H](O)CCCc3ccc4c(c3)nnn4CCCN3CCC4(CC3)CC(OC(=O)C(O)(c3cccs3)c3cccs3)C4)ccc(O)c2C1.O=Cc1ccc2c(c1)nnn2CCCBr.O=Cc1ccc2c(c1)nnn2CCCN1CCC2(CC1)CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2.O=Cc1ccc2c(c1)nnn2CCCO
InChIInChI=1S/C41H44N4O6S2.C28H30N4O4S2.C18H21NO3S2.C18H27NO3Si.C10H10BrN3O.C10H10N4O.C10H11N3O3.C10H11N3O2.C10H13N3O.C7H3FN2O2/c46-28-10-11-30-31(12-14-36(48)32(30)24-28)35(47)6-1-5-27-9-13-34-33(23-27)42-43-45(34)18-4-17-44-19-15-40(16-20-44)25-29(26-40)51-39(49)41(50,37-7-2-21-52-37)38-8-3-22-53-38;33-19-20-6-7-23-22(16-20)29-30-32(23)11-3-10-31-12-8-27(9-13-31)17-21(18-27)36-26(34)28(35,24-4-1-14-37-24)25-5-2-15-38-25;20-16(22-13-11-17(12-13)5-7-19-8-6-17)18(21,14-3-1-9-23-14)15-4-2-10-24-15;1-18(2,3)23(4,5)22-17(11-19)14-8-9-16(21)15-10-12(20)6-7-13(14)15;11-4-1-5-14-10-3-2-8(7-15)6-9(10)12-13-14;11-7-8-2-3-10-9(6-8)12-13-14(10)4-1-5-15;11-7-8-2-3-9(12-4-1-5-14)10(6-8)13(15)16;14-5-1-4-13-10-3-2-8(7-15)6-9(10)11-12-13;11-7-8-2-3-10(9(12)6-8)13-4-1-5-14;8-6-2-1-5(4-9)3-7(6)10(11)12/h2-3,7-14,21-23,29,35,47-48,50H,1,4-6,15-20,24-26H2;1-2,4-7,14-16,19,21,35H,3,8-13,17-18H2;1-4,9-10,13,19,21H,5-8,11-12H2;6-9,17,21H,10-11,19H2,1-5H3;2-3,6-7H,1,4-5H2;2-3,6,15H,1,4-5H2;2-3,6,12,14H,1,4-5H2;2-3,6-7,14H,1,4-5H2;2-3,6,13-14H,1,4-5,12H2;1-3H/t35-;;;17-;;;;;;/m0..0....../s1
InChIKeyKHBGUJITYBASLM-WAMPRBRKSA-N
MW3254.78 g/mol
LogP24.86
Rot. Bonds51

About 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile

5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile (PubChem CID 159132394) has the molecular formula C162H180BrFN28O26S6Si and a molecular weight of 3254.78 g/mol. Its IUPAC name is 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile.

Molecular Properties

Compound Name5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile
PubChem CID159132394
Molecular FormulaC162H180BrFN28O26S6Si
Molecular Weight3254.78 g/mol
Exact Mass3251.09
IUPAC Name5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CN)c1ccc(O)c2c1C=CC(=O)C2.N#Cc1ccc(F)c([N+](=O)[O-])c1.N#Cc1ccc(NCCCO)c(N)c1.N#Cc1ccc(NCCCO)c([N+](=O)[O-])c1.N#Cc1ccc2c(c1)nnn2CCCO.O=C(OC1CC2(CCNCC2)C1)C(O)(c1cccs1)c1cccs1.O=C1C=Cc2c([C@@H](O)CCCc3ccc4c(c3)nnn4CCCN3CCC4(CC3)CC(OC(=O)C(O)(c3cccs3)c3cccs3)C4)ccc(O)c2C1.O=Cc1ccc2c(c1)nnn2CCCBr.O=Cc1ccc2c(c1)nnn2CCCN1CCC2(CC1)CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2.O=Cc1ccc2c(c1)nnn2CCCO
InChIInChI=1S/C41H44N4O6S2.C28H30N4O4S2.C18H21NO3S2.C18H27NO3Si.C10H10BrN3O.C10H10N4O.C10H11N3O3.C10H11N3O2.C10H13N3O.C7H3FN2O2/c46-28-10-11-30-31(12-14-36(48)32(30)24-28)35(47)6-1-5-27-9-13-34-33(23-27)42-43-45(34)18-4-17-44-19-15-40(16-20-44)25-29(26-40)51-39(49)41(50,37-7-2-21-52-37)38-8-3-22-53-38;33-19-20-6-7-23-22(16-20)29-30-32(23)11-3-10-31-12-8-27(9-13-31)17-21(18-27)36-26(34)28(35,24-4-1-14-37-24)25-5-2-15-38-25;20-16(22-13-11-17(12-13)5-7-19-8-6-17)18(21,14-3-1-9-23-14)15-4-2-10-24-15;1-18(2,3)23(4,5)22-17(11-19)14-8-9-16(21)15-10-12(20)6-7-13(14)15;11-4-1-5-14-10-3-2-8(7-15)6-9(10)12-13-14;11-7-8-2-3-10-9(6-8)12-13-14(10)4-1-5-15;11-7-8-2-3-9(12-4-1-5-14)10(6-8)13(15)16;14-5-1-4-13-10-3-2-8(7-15)6-9(10)11-12-13;11-7-8-2-3-10(9(12)6-8)13-4-1-5-14;8-6-2-1-5(4-9)3-7(6)10(11)12/h2-3,7-14,21-23,29,35,47-48,50H,1,4-6,15-20,24-26H2;1-2,4-7,14-16,19,21,35H,3,8-13,17-18H2;1-4,9-10,13,19,21H,5-8,11-12H2;6-9,17,21H,10-11,19H2,1-5H3;2-3,6-7H,1,4-5H2;2-3,6,15H,1,4-5H2;2-3,6,12,14H,1,4-5H2;2-3,6-7,14H,1,4-5H2;2-3,6,13-14H,1,4-5,12H2;1-3H/t35-;;;17-;;;;;;/m0..0....../s1
InChIKeyKHBGUJITYBASLM-WAMPRBRKSA-N
XLogP24.86
TPSA805.38 Ų
H-Bond Donors15
H-Bond Acceptors58
Rotatable Bonds51
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003254.78
LogP ≤ 524.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile?
The IUPAC name of 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile (CID 159132394) is 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile.
What is the SMILES notation for 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile?
The canonical SMILES for 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile is CC(C)(C)[Si](C)(C)O[C@@H](CN)c1ccc(O)c2c1C=CC(=O)C2.N#Cc1ccc(F)c([N+](=O)[O-])c1.N#Cc1ccc(NCCCO)c(N)c1.N#Cc1ccc(NCCCO)c([N+](=O)[O-])c1.N#Cc1ccc2c(c1)nnn2CCCO.O=C(OC1CC2(CCNCC2)C1)C(O)(c1cccs1)c1cccs1.O=C1C=Cc2c([C@@H](O)CCCc3ccc4c(c3)nnn4CCCN3CCC4(CC3)CC(OC(=O)C(O)(c3cccs3)c3cccs3)C4)ccc(O)c2C1.O=Cc1ccc2c(c1)nnn2CCCBr.O=Cc1ccc2c(c1)nnn2CCCN1CCC2(CC1)CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2.O=Cc1ccc2c(c1)nnn2CCCO.
What is the InChIKey of 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile?
The InChIKey is KHBGUJITYBASLM-WAMPRBRKSA-N. The full InChI is InChI=1S/C41H44N4O6S2.C28H30N4O4S2.C18H21NO3S2.C18H27NO3Si.C10H10BrN3O.C10H10N4O.C10H11N3O3.C10H11N3O2.C10H13N3O.C7H3FN2O2/c46-28-10-11-30-31(12-14-36(48)32(30)24-28)35(47)6-1-5-27-9-13-34-33(23-27)42-43-45(34)18-4-17-44-19-15-40(16-20-44)25-29(26-40)51-39(49)41(50,37-7-2-21-52-37)38-8-3-22-53-38;33-19-20-6-7-23-22(16-20)29-30-32(23)11-3-10-31-12-8-27(9-13-31)17-21(18-27)36-26(34)28(35,24-4-1-14-37-24)25-5-2-15-38-25;20-16(22-13-11-17(12-13)5-7-19-8-6-17)18(21,14-3-1-9-23-14)15-4-2-10-24-15;1-18(2,3)23(4,5)22-17(11-19)14-8-9-16(21)15-10-12(20)6-7-13(14)15;11-4-1-5-14-10-3-2-8(7-15)6-9(10)12-13-14;11-7-8-2-3-10-9(6-8)12-13-14(10)4-1-5-15;11-7-8-2-3-9(12-4-1-5-14)10(6-8)13(15)16;14-5-1-4-13-10-3-2-8(7-15)6-9(10)11-12-13;11-7-8-2-3-10(9(12)6-8)13-4-1-5-14;8-6-2-1-5(4-9)3-7(6)10(11)12/h2-3,7-14,21-23,29,35,47-48,50H,1,4-6,15-20,24-26H2;1-2,4-7,14-16,19,21,35H,3,8-13,17-18H2;1-4,9-10,13,19,21H,5-8,11-12H2;6-9,17,21H,10-11,19H2,1-5H3;2-3,6-7H,1,4-5H2;2-3,6,15H,1,4-5H2;2-3,6,12,14H,1,4-5H2;2-3,6-7,14H,1,4-5H2;2-3,6,13-14H,1,4-5,12H2;1-3H/t35-;;;17-;;;;;;/m0..0....../s1.
What are the key properties of 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile?
5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile has a molecular weight of 3254.78 g/mol, XLogP of 24.86, 51 rotatable bonds, 15 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-naphthalen-2-one;3-amino-4-(3-hydroxypropylamino)benzonitrile;7-azaspiro[3.5]nonan-2-yl 2-hydroxy-2,2-dithiophen-2-ylacetate;1-(3-bromopropyl)benzotriazole-5-carbaldehyde;4-fluoro-3-nitrobenzonitrile;[7-[3-(5-formylbenzotriazol-1-yl)propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;[7-[3-[5-[(4S)-4-hydroxy-4-(4-hydroxy-6-oxo-5H-naphthalen-1-yl)butyl]benzotriazol-1-yl]propyl]-7-azaspiro[3.5]nonan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;4-(3-hydroxypropylamino)-3-nitrobenzonitrile;1-(3-hydroxypropyl)benzotriazole-5-carbaldehyde;1-(3-hydroxypropyl)benzotriazole-5-carbonitrile is sourced from PubChem (CID 159132394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).