1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

C155H132Br6ClF30N11O19 — CID 165097977

IUPAC1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CNC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.ClC1CCc2cc(Br)ccc21.NC1CCc2cc(Br)ccc21.O=C(/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NO.O=C(NC1CCc2cc(Br)ccc21)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C1CCc2cc(Br)ccc21.OC1CCc2cc(Br)ccc21.[N-]=[N+]=NC1CCc2cc(Br)ccc21
InChIInChI=1S/C24H21F6NO4.C23H20F6N2O3.C22H18F6N2O4.C22H17F6NO4.C19H14BrF6NO2.C9H8BrCl.C9H8BrN3.C9H10BrN.C9H9BrO.C9H7BrO/c1-2-34-21(32)8-4-14-3-6-19-16(9-14)5-7-20(19)31-22(33)35-13-15-10-17(23(25,26)27)12-18(11-15)24(28,29)30;1-30-20(32)7-3-13-2-5-18-15(8-13)4-6-19(18)31-21(33)34-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29;23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)11-34-20(32)29-18-5-3-14-7-12(1-4-17(14)18)2-6-19(31)30-33;23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)11-33-20(32)29-18-5-3-14-7-12(1-4-17(14)18)2-6-19(30)31;20-14-2-3-15-11(7-14)1-4-16(15)27-17(28)29-9-10-5-12(18(21,22)23)8-13(6-10)19(24,25)26;10-7-2-3-8-6(5-7)1-4-9(8)11;10-7-2-3-8-6(5-7)1-4-9(8)12-13-11;3*10-7-2-3-8-6(5-7)1-4-9(8)11/h3-4,6,8-12,20H,2,5,7,13H2,1H3,(H,31,33);2-3,5,7-11,19H,4,6,12H2,1H3,(H,30,32)(H,31,33);1-2,4,6-10,18,33H,3,5,11H2,(H,29,32)(H,30,31);1-2,4,6-10,18H,3,5,11H2,(H,29,32)(H,30,31);2-3,5-8,16H,1,4,9H2,(H,27,28);2-3,5,9H,1,4H2;2-3,5,9H,1,4H2;2-3,5,9H,1,4,11H2;2-3,5,9,11H,1,4H2;2-3,5H,1,4H2/b8-4+;7-3+;2*6-2+;;;;;;
InChIKeyXVIMTIVGQURDDX-NAWUIYDCSA-N
MW3537.64 g/mol
LogP43.73
Rot. Bonds25

About 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate

1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (PubChem CID 165097977) has the molecular formula C155H132Br6ClF30N11O19 and a molecular weight of 3537.64 g/mol. Its IUPAC name is 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.

Molecular Properties

Compound Name1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
PubChem CID165097977
Molecular FormulaC155H132Br6ClF30N11O19
Molecular Weight3537.64 g/mol
Exact Mass3529.40
IUPAC Name1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CNC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.ClC1CCc2cc(Br)ccc21.NC1CCc2cc(Br)ccc21.O=C(/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NO.O=C(NC1CCc2cc(Br)ccc21)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C1CCc2cc(Br)ccc21.OC1CCc2cc(Br)ccc21.[N-]=[N+]=NC1CCc2cc(Br)ccc21
InChIInChI=1S/C24H21F6NO4.C23H20F6N2O3.C22H18F6N2O4.C22H17F6NO4.C19H14BrF6NO2.C9H8BrCl.C9H8BrN3.C9H10BrN.C9H9BrO.C9H7BrO/c1-2-34-21(32)8-4-14-3-6-19-16(9-14)5-7-20(19)31-22(33)35-13-15-10-17(23(25,26)27)12-18(11-15)24(28,29)30;1-30-20(32)7-3-13-2-5-18-15(8-13)4-6-19(18)31-21(33)34-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29;23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)11-34-20(32)29-18-5-3-14-7-12(1-4-17(14)18)2-6-19(31)30-33;23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)11-33-20(32)29-18-5-3-14-7-12(1-4-17(14)18)2-6-19(30)31;20-14-2-3-15-11(7-14)1-4-16(15)27-17(28)29-9-10-5-12(18(21,22)23)8-13(6-10)19(24,25)26;10-7-2-3-8-6(5-7)1-4-9(8)11;10-7-2-3-8-6(5-7)1-4-9(8)12-13-11;3*10-7-2-3-8-6(5-7)1-4-9(8)11/h3-4,6,8-12,20H,2,5,7,13H2,1H3,(H,31,33);2-3,5,7-11,19H,4,6,12H2,1H3,(H,30,32)(H,31,33);1-2,4,6-10,18,33H,3,5,11H2,(H,29,32)(H,30,31);1-2,4,6-10,18H,3,5,11H2,(H,29,32)(H,30,31);2-3,5-8,16H,1,4,9H2,(H,27,28);2-3,5,9H,1,4H2;2-3,5,9H,1,4H2;2-3,5,9H,1,4,11H2;2-3,5,9,11H,1,4H2;2-3,5H,1,4H2/b8-4+;7-3+;2*6-2+;;;;;;
InChIKeyXVIMTIVGQURDDX-NAWUIYDCSA-N
XLogP43.73
TPSA445.76 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003537.64
LogP ≤ 543.73
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The IUPAC name of 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate (CID 165097977) is 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate.
What is the SMILES notation for 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The canonical SMILES for 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is CCOC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CNC(=O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.ClC1CCc2cc(Br)ccc21.NC1CCc2cc(Br)ccc21.O=C(/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NO.O=C(NC1CCc2cc(Br)ccc21)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)/C=C/c1ccc2c(c1)CCC2NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C1CCc2cc(Br)ccc21.OC1CCc2cc(Br)ccc21.[N-]=[N+]=NC1CCc2cc(Br)ccc21.
What is the InChIKey of 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
The InChIKey is XVIMTIVGQURDDX-NAWUIYDCSA-N. The full InChI is InChI=1S/C24H21F6NO4.C23H20F6N2O3.C22H18F6N2O4.C22H17F6NO4.C19H14BrF6NO2.C9H8BrCl.C9H8BrN3.C9H10BrN.C9H9BrO.C9H7BrO/c1-2-34-21(32)8-4-14-3-6-19-16(9-14)5-7-20(19)31-22(33)35-13-15-10-17(23(25,26)27)12-18(11-15)24(28,29)30;1-30-20(32)7-3-13-2-5-18-15(8-13)4-6-19(18)31-21(33)34-12-14-9-16(22(24,25)26)11-17(10-14)23(27,28)29;23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)11-34-20(32)29-18-5-3-14-7-12(1-4-17(14)18)2-6-19(31)30-33;23-21(24,25)15-8-13(9-16(10-15)22(26,27)28)11-33-20(32)29-18-5-3-14-7-12(1-4-17(14)18)2-6-19(30)31;20-14-2-3-15-11(7-14)1-4-16(15)27-17(28)29-9-10-5-12(18(21,22)23)8-13(6-10)19(24,25)26;10-7-2-3-8-6(5-7)1-4-9(8)11;10-7-2-3-8-6(5-7)1-4-9(8)12-13-11;3*10-7-2-3-8-6(5-7)1-4-9(8)11/h3-4,6,8-12,20H,2,5,7,13H2,1H3,(H,31,33);2-3,5,7-11,19H,4,6,12H2,1H3,(H,30,32)(H,31,33);1-2,4,6-10,18,33H,3,5,11H2,(H,29,32)(H,30,31);1-2,4,6-10,18H,3,5,11H2,(H,29,32)(H,30,31);2-3,5-8,16H,1,4,9H2,(H,27,28);2-3,5,9H,1,4H2;2-3,5,9H,1,4H2;2-3,5,9H,1,4,11H2;2-3,5,9,11H,1,4H2;2-3,5H,1,4H2/b8-4+;7-3+;2*6-2+;;;;;;.
What are the key properties of 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate?
1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate has a molecular weight of 3537.64 g/mol, XLogP of 43.73, 25 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-5-bromo-2,3-dihydro-1H-indene;(E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid;[3,5-bis(trifluoromethyl)phenyl]methyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;[3,5-bis(trifluoromethyl)phenyl]methyl N-[5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]carbamate;5-bromo-1-chloro-2,3-dihydro-1H-indene;5-bromo-2,3-dihydro-1H-inden-1-amine;5-bromo-2,3-dihydro-1H-inden-1-ol;5-bromo-2,3-dihydroinden-1-one;ethyl (E)-3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate is sourced from PubChem (CID 165097977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).