(1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C88H94BBr2F9N8O5S42 — CID 167563484

About (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

(1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 167563484) has the molecular formula C88H94BBr2F9N8O5S42 and a molecular weight of 3032.19 g/mol. Its IUPAC name is (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

• Compound Name: (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• PubChem CID: 167563484
• Molecular Formula: C88H94BBr2F9N8O5S42
• Molecular Weight: 3032.19 g/mol
• Exact Mass: 3025.39
• IUPAC Name: (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
• SMILES: C[C@H](N)c1ccc(C2CC2)c(Br)c1.C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(-c2ccc3cnc(NC4CCN(C)CC4)nc3c2)c1.C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1.C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(Br)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C33H34F3N5O.C25H29BF3NO3.C19H17BrF3NO.C11H14BrN.S42/c1-20(38-31(42)24-4-3-5-26(16-24)33(34,35)36)22-10-11-28(21-6-7-21)29(17-22)23-8-9-25-19-37-32(40-30(25)18-23)39-27-12-14-41(2)15-13-27;1-15(30-22(31)18-7-6-8-19(13-18)25(27,28)29)17-11-12-20(16-9-10-16)21(14-17)26-32-23(2,3)24(4,5)33-26;1-11(13-7-8-16(12-5-6-12)17(20)10-13)24-18(25)14-3-2-4-15(9-14)19(21,22)23;1-7(13)9-4-5-10(8-2-3-8)11(12)6-9;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-5,8-11,16-21,27H,6-7,12-15H2,1-2H3,(H,38,42)(H,37,39,40);6-8,11-16H,9-10H2,1-5H3,(H,30,31);2-4,7-12H,5-6H2,1H3,(H,24,25);4-8H,2-3,13H2,1H3;/t20-;15-;11-;7-;/m0000./s1
• InChIKey: DYWPOKOYSCGCIG-BSLJHMNGSA-N
• XLogP: 21.64
• TPSA: 172.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3032.19
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The IUPAC name of (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 167563484) is (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

What is the SMILES notation for (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The canonical SMILES for (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is C[C@H](N)c1ccc(C2CC2)c(Br)c1.C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(-c2ccc3cnc(NC4CCN(C)CC4)nc3c2)c1.C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1.C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C2CC2)c(Br)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S=S.

What is the InChIKey of (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

The InChIKey is DYWPOKOYSCGCIG-BSLJHMNGSA-N. The full InChI is InChI=1S/C33H34F3N5O.C25H29BF3NO3.C19H17BrF3NO.C11H14BrN.S42/c1-20(38-31(42)24-4-3-5-26(16-24)33(34,35)36)22-10-11-28(21-6-7-21)29(17-22)23-8-9-25-19-37-32(40-30(25)18-23)39-27-12-14-41(2)15-13-27;1-15(30-22(31)18-7-6-8-19(13-18)25(27,28)29)17-11-12-20(16-9-10-16)21(14-17)26-32-23(2,3)24(4,5)33-26;1-11(13-7-8-16(12-5-6-12)17(20)10-13)24-18(25)14-3-2-4-15(9-14)19(21,22)23;1-7(13)9-4-5-10(8-2-3-8)11(12)6-9;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-5,8-11,16-21,27H,6-7,12-15H2,1-2H3,(H,38,42)(H,37,39,40);6-8,11-16H,9-10H2,1-5H3,(H,30,31);2-4,7-12H,5-6H2,1H3,(H,24,25);4-8H,2-3,13H2,1H3;/t20-;15-;11-;7-;/m0000./s1.

What are the key properties of (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?

(1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 3032.19 g/mol, XLogP of 21.64, 18 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(3-bromo-4-cyclopropylphenyl)ethanamine;N-[(1S)-1-(3-bromo-4-cyclopropylphenyl)ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-[2-[(1-methylpiperidin-4-yl)amino]quinazolin-7-yl]phenyl]ethyl]-3-(trifluoromethyl)benzamide;N-[(1S)-1-[4-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 167563484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).