lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate

C115H143Br2ClF6LiN11O24 — CID 159210402

IUPAClithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate
SMILESCC(C)(C)OC(=O)NCCCBr.CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(C(=O)O)ccc21.COC(=O)c1ccc2c(c1)C=CC2.COC(=O)c1ccc2c(c1)c(-c1ccc(OC(F)(F)F)cc1)cn2CCCNC(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)c(Br)cn2CCCNC(=O)OC(C)(C)C.COC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1.Clc1ccccc1CN1CCNCC1.O.[Li+].[OH-]
InChIInChI=1S/C25H27F3N2O5.C24H25F3N2O5.C18H23BrN2O4.C18H24N2O4.C11H15ClN2.C11H10O2.C8H16BrNO2.Li.2H2O/c1-24(2,3)35-23(32)29-12-5-13-30-15-20(16-6-9-18(10-7-16)34-25(26,27)28)19-14-17(22(31)33-4)8-11-21(19)30;1-23(2,3)34-22(32)28-11-4-12-29-14-19(18-13-16(21(30)31)7-10-20(18)29)15-5-8-17(9-6-15)33-24(25,26)27;1-18(2,3)25-17(23)20-8-5-9-21-11-14(19)13-10-12(16(22)24-4)6-7-15(13)21;1-18(2,3)24-17(22)19-9-5-10-20-11-8-13-12-14(16(21)23-4)6-7-15(13)20;12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;1-13-11(12)10-6-5-8-3-2-4-9(8)7-10;1-8(2,3)12-7(11)10-6-4-5-9;;;/h6-11,14-15H,5,12-13H2,1-4H3,(H,29,32);5-10,13-14H,4,11-12H2,1-3H3,(H,28,32)(H,30,31);6-7,10-11H,5,8-9H2,1-4H3,(H,20,23);6-8,11-12H,5,9-10H2,1-4H3,(H,19,22);1-4,13H,5-9H2;2,4-7H,3H2,1H3;4-6H2,1-3H3,(H,10,11);;2*1H2/q;;;;;;;+1;;/p-1
InChIKeyZAMZIKBTLSQHBN-UHFFFAOYSA-M
MW2379.65 g/mol
LogP21.26
Rot. Bonds30

About lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate

lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate (PubChem CID 159210402) has the molecular formula C115H143Br2ClF6LiN11O24 and a molecular weight of 2379.65 g/mol. Its IUPAC name is lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate
PubChem CID159210402
Molecular FormulaC115H143Br2ClF6LiN11O24
Molecular Weight2379.65 g/mol
Exact Mass2375.84
IUPAC Namelithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate
SMILESCC(C)(C)OC(=O)NCCCBr.CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(C(=O)O)ccc21.COC(=O)c1ccc2c(c1)C=CC2.COC(=O)c1ccc2c(c1)c(-c1ccc(OC(F)(F)F)cc1)cn2CCCNC(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)c(Br)cn2CCCNC(=O)OC(C)(C)C.COC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1.Clc1ccccc1CN1CCNCC1.O.[Li+].[OH-]
InChIInChI=1S/C25H27F3N2O5.C24H25F3N2O5.C18H23BrN2O4.C18H24N2O4.C11H15ClN2.C11H10O2.C8H16BrNO2.Li.2H2O/c1-24(2,3)35-23(32)29-12-5-13-30-15-20(16-6-9-18(10-7-16)34-25(26,27)28)19-14-17(22(31)33-4)8-11-21(19)30;1-23(2,3)34-22(32)28-11-4-12-29-14-19(18-13-16(21(30)31)7-10-20(18)29)15-5-8-17(9-6-15)33-24(25,26)27;1-18(2,3)25-17(23)20-8-5-9-21-11-14(19)13-10-12(16(22)24-4)6-7-15(13)21;1-18(2,3)24-17(22)19-9-5-10-20-11-8-13-12-14(16(21)23-4)6-7-15(13)20;12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;1-13-11(12)10-6-5-8-3-2-4-9(8)7-10;1-8(2,3)12-7(11)10-6-4-5-9;;;/h6-11,14-15H,5,12-13H2,1-4H3,(H,29,32);5-10,13-14H,4,11-12H2,1-3H3,(H,28,32)(H,30,31);6-7,10-11H,5,8-9H2,1-4H3,(H,20,23);6-8,11-12H,5,9-10H2,1-4H3,(H,19,22);1-4,13H,5-9H2;2,4-7H,3H2,1H3;4-6H2,1-3H3,(H,10,11);;2*1H2/q;;;;;;;+1;;/p-1
InChIKeyZAMZIKBTLSQHBN-UHFFFAOYSA-M
XLogP21.26
TPSA449.10 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002379.65
LogP ≤ 521.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate with MolForge

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Related Compounds

tert-butyl N-[3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl N-[3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;methane
CID 157135114
tert-butyl N-[3-(3-bromo-5-formylindol-1-yl)propyl]carbamate;tert-butyl N-[[2-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methyl]-N-methylcarbamate;tert-butyl N-[3-(5-formyl-3-methylindol-1-yl)propyl]carbamate;tert-butyl N-[[2-[5-formyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indol-3-yl]-5-(trifluoromethoxy)phenyl]methyl]-N-methylcarbamate;tert-butyl N-[[2-iodo-5-(trifluoromethoxy)phenyl]methyl]carbamate;tert-butyl N-[[2-iodo-5-(trifluoromethoxy)phenyl]methyl]-N-methylcarbamate;1-[(2-chlorophenyl)methyl]piperazine
CID 157309082
[1-(3-aminopropyl)-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone;tert-butyl N-[3-[5-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate
CID 157484389
CID 157617837
CID 157617837
tert-butyl N-[(1R,3S)-3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]cyclopentyl]carbamate;cis-(1R,3S)-3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]cyclopentan-1-amine
CID 157694743
tert-butyl N-[4-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]carbamate;tert-butyl N-[4-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;4-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]butan-1-amine
CID 158781979
hexakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[3-(cyclopropylmethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 159715849
CID 159799843
CID 159799843
tert-butyl N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl N-[3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;1-[(2,6-dichlorophenyl)methyl]piperazine;3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 160241673
tert-butyl N-[(1S)-3-(5-bromoindol-1-yl)cyclopentyl]carbamate;tert-butyl N-[(1S)-3-(5-formylindol-1-yl)cyclopentyl]carbamate;(1S)-3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]cyclopentan-1-amine
CID 161177199
tert-butyl N-(3-bromopropyl)carbamate;tert-butyl N-[3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indazol-1-yl]propyl]carbamate;tert-butyl N-[3-[5-(hydroxymethyl)-3-[4-(trifluoromethoxy)phenyl]indazol-1-yl]propyl]carbamate;tert-butyl N-[3-(5-methylindazol-1-yl)propyl]carbamate;tert-butyl N-[3-[5-methyl-3-[4-(trifluoromethoxy)phenyl]indazol-1-yl]propyl]carbamate;tris(carbon dioxide);1-[(2-chlorophenyl)methyl]piperazine;1-iodo-4-(trifluoromethoxy)benzene;5-methyl-1H-isoindole
CID 162234572
CID 157652213
CID 157652213

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate?
The IUPAC name of lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate (CID 159210402) is lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate.
What is the SMILES notation for lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate?
The canonical SMILES for lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate is CC(C)(C)OC(=O)NCCCBr.CC(C)(C)OC(=O)NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(C(=O)O)ccc21.COC(=O)c1ccc2c(c1)C=CC2.COC(=O)c1ccc2c(c1)c(-c1ccc(OC(F)(F)F)cc1)cn2CCCNC(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)c(Br)cn2CCCNC(=O)OC(C)(C)C.COC(=O)c1ccc2c(ccn2CCCNC(=O)OC(C)(C)C)c1.Clc1ccccc1CN1CCNCC1.O.[Li+].[OH-].
What is the InChIKey of lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate?
The InChIKey is ZAMZIKBTLSQHBN-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H27F3N2O5.C24H25F3N2O5.C18H23BrN2O4.C18H24N2O4.C11H15ClN2.C11H10O2.C8H16BrNO2.Li.2H2O/c1-24(2,3)35-23(32)29-12-5-13-30-15-20(16-6-9-18(10-7-16)34-25(26,27)28)19-14-17(22(31)33-4)8-11-21(19)30;1-23(2,3)34-22(32)28-11-4-12-29-14-19(18-13-16(21(30)31)7-10-20(18)29)15-5-8-17(9-6-15)33-24(25,26)27;1-18(2,3)25-17(23)20-8-5-9-21-11-14(19)13-10-12(16(22)24-4)6-7-15(13)21;1-18(2,3)24-17(22)19-9-5-10-20-11-8-13-12-14(16(21)23-4)6-7-15(13)20;12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;1-13-11(12)10-6-5-8-3-2-4-9(8)7-10;1-8(2,3)12-7(11)10-6-4-5-9;;;/h6-11,14-15H,5,12-13H2,1-4H3,(H,29,32);5-10,13-14H,4,11-12H2,1-3H3,(H,28,32)(H,30,31);6-7,10-11H,5,8-9H2,1-4H3,(H,20,23);6-8,11-12H,5,9-10H2,1-4H3,(H,19,22);1-4,13H,5-9H2;2,4-7H,3H2,1H3;4-6H2,1-3H3,(H,10,11);;2*1H2/q;;;;;;;+1;;/p-1.
What are the key properties of lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate?
lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate has a molecular weight of 2379.65 g/mol, XLogP of 21.26, 30 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl N-(3-bromopropyl)carbamate;1-[(2-chlorophenyl)methyl]piperazine;methyl 3-bromo-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1H-indene-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-5-carboxylate;methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylate;1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;hydroxide;hydrate is sourced from PubChem (CID 159210402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).