1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C146H151B2Br4Cl6N5O22 — CID 157127479

IUPAC1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC2=C(C1)c1cc3c(cc1CC2)-c1ccc(Cl)cc1CO3.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(Cl)ccc1-4.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1ccc(Br)c(CBr)c1.O=C1CCCc2cc3c(cc21)OCc1cc(Cl)ccc1-3.O=C1CCCc2ccc(O)cc21.O=C1CCCc2ccc(OCc3cc(Cl)ccc3Br)cc21.O=C1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1CO3
InChIInChI=1S/C28H29ClN2O3.C28H27ClN2O3.C17H12BrClO2.C17H14BrClO2.C17H13ClO2.C12H24B2O4.C10H17NO4.C10H10O2.C7H5Br2Cl/c2*1-28(2,3)34-27(32)31-10-4-5-25(31)24-13-21-20-14-26-22(12-16(20)6-9-23(21)30-24)19-8-7-18(29)11-17(19)15-33-26;18-15-4-1-9-6-14-12-3-2-11(19)5-10(12)8-21-16(14)7-13(9)17(15)20;18-16-7-5-13(19)8-12(16)10-21-14-6-4-11-2-1-3-17(20)15(11)9-14;18-12-4-5-13-11(6-12)9-20-17-8-14-10(7-15(13)17)2-1-3-16(14)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;11-8-5-4-7-2-1-3-10(12)9(7)6-8;8-4-5-3-6(10)1-2-7(5)9/h7-8,11-12,14,25H,4-6,9-10,13,15H2,1-3H3;6-9,11-12,14,25H,4-5,10,13,15H2,1-3H3;2-3,5-7,15H,1,4,8H2;4-9H,1-3,10H2;4-8H,1-3,9H2;1-8H3;7H,4-6H2,1-3H3,(H,12,13);4-6,11H,1-3H2;1-3H,4H2/t2*25-;;;;;7-;;/m00....0../s1
InChIKeyAIRFNNWGBVVGNU-LRDULOBISA-N
MW2881.78 g/mol
LogP37.92
Rot. Bonds8

About 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157127479) has the molecular formula C146H151B2Br4Cl6N5O22 and a molecular weight of 2881.78 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID157127479
Molecular FormulaC146H151B2Br4Cl6N5O22
Molecular Weight2881.78 g/mol
Exact Mass2873.59
IUPAC Name1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC2=C(C1)c1cc3c(cc1CC2)-c1ccc(Cl)cc1CO3.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(Cl)ccc1-4.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1ccc(Br)c(CBr)c1.O=C1CCCc2cc3c(cc21)OCc1cc(Cl)ccc1-3.O=C1CCCc2ccc(O)cc21.O=C1CCCc2ccc(OCc3cc(Cl)ccc3Br)cc21.O=C1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1CO3
InChIInChI=1S/C28H29ClN2O3.C28H27ClN2O3.C17H12BrClO2.C17H14BrClO2.C17H13ClO2.C12H24B2O4.C10H17NO4.C10H10O2.C7H5Br2Cl/c2*1-28(2,3)34-27(32)31-10-4-5-25(31)24-13-21-20-14-26-22(12-16(20)6-9-23(21)30-24)19-8-7-18(29)11-17(19)15-33-26;18-15-4-1-9-6-14-12-3-2-11(19)5-10(12)8-21-16(14)7-13(9)17(15)20;18-16-7-5-13(19)8-12(16)10-21-14-6-4-11-2-1-3-17(20)15(11)9-14;18-12-4-5-13-11(6-12)9-20-17-8-14-10(7-15(13)17)2-1-3-16(14)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;11-8-5-4-7-2-1-3-10(12)9(7)6-8;8-4-5-3-6(10)1-2-7(5)9/h7-8,11-12,14,25H,4-6,9-10,13,15H2,1-3H3;6-9,11-12,14,25H,4-5,10,13,15H2,1-3H3;2-3,5-7,15H,1,4,8H2;4-9H,1-3,10H2;4-8H,1-3,9H2;1-8H3;7H,4-6H2,1-3H3,(H,12,13);4-6,11H,1-3H2;1-3H,4H2/t2*25-;;;;;7-;;/m00....0../s1
InChIKeyAIRFNNWGBVVGNU-LRDULOBISA-N
XLogP37.92
TPSA322.22 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds8
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002881.78
LogP ≤ 537.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157127479) is 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC2=C(C1)c1cc3c(cc1CC2)-c1ccc(Cl)cc1CO3.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(Cl)ccc1-4.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1ccc(Br)c(CBr)c1.O=C1CCCc2cc3c(cc21)OCc1cc(Cl)ccc1-3.O=C1CCCc2ccc(O)cc21.O=C1CCCc2ccc(OCc3cc(Cl)ccc3Br)cc21.O=C1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1CO3.
What is the InChIKey of 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is AIRFNNWGBVVGNU-LRDULOBISA-N. The full InChI is InChI=1S/C28H29ClN2O3.C28H27ClN2O3.C17H12BrClO2.C17H14BrClO2.C17H13ClO2.C12H24B2O4.C10H17NO4.C10H10O2.C7H5Br2Cl/c2*1-28(2,3)34-27(32)31-10-4-5-25(31)24-13-21-20-14-26-22(12-16(20)6-9-23(21)30-24)19-8-7-18(29)11-17(19)15-33-26;18-15-4-1-9-6-14-12-3-2-11(19)5-10(12)8-21-16(14)7-13(9)17(15)20;18-16-7-5-13(19)8-12(16)10-21-14-6-4-11-2-1-3-17(20)15(11)9-14;18-12-4-5-13-11(6-12)9-20-17-8-14-10(7-15(13)17)2-1-3-16(14)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;11-8-5-4-7-2-1-3-10(12)9(7)6-8;8-4-5-3-6(10)1-2-7(5)9/h7-8,11-12,14,25H,4-6,9-10,13,15H2,1-3H3;6-9,11-12,14,25H,4-5,10,13,15H2,1-3H3;2-3,5-7,15H,1,4,8H2;4-9H,1-3,10H2;4-8H,1-3,9H2;1-8H3;7H,4-6H2,1-3H3,(H,12,13);4-6,11H,1-3H2;1-3H,4H2/t2*25-;;;;;7-;;/m00....0../s1.
What are the key properties of 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2881.78 g/mol, XLogP of 37.92, 8 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-4-chlorobenzene;7-[(2-bromo-5-chlorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)pyrrolidine-1-carboxylate;3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;7-hydroxy-3,4-dihydro-2H-naphthalen-1-one;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157127479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).