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HD-TAC7

CAT: 0127-BUP24067-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP24067-02Size:5 mg
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CAS Number
2978763-95-8
Purity
≥98%
Smiles
O=C (NC1=CC=C (F) C=C1N) C2=CC=C (C=C2) NC (=O) CCCCNC (=O) CNC3=CC=CC=4C (=O) N (C (=O) C34) C5C (=O) NC (=O) CC5

Chemical Information

HD-Tac7
CAS Number2978763-95-8
PubChem CID162652027
IUPAC NameN-(2-amino-4-fluorophenyl)-4-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentanoylamino]benzamide
Molecular FormulaC33H32FN7O7
Molecular Weight657.6
XLogP1.8
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count48
Formal Charge0
Complexity1260
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCC(=O)NCCCCC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)N
InChI
InChI=1S/C33H32FN7O7/c34-19-9-12-23(22(35)16-19)39-30(45)18-7-10-20(11-8-18)38-26(42)6-1-2-15-36-28(44)17-37-24-5-3-4-21-29(24)33(48)41(32(21)47)25-13-14-27(43)40-31(25)46/h3-5,7-12,16,25,37H,1-2,6,13-15,17,35H2,(H,36,44)(H,38,42)(H,39,45)(H,40,43,46)
InChIKey
AMBNMDIPGZXRRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HD-Tac7
CAS: 2978763-95-8
CID: 162652027
Formula: C33H32FN7O7
MW: 657.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight657.6
XLogP31.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass657.23472455
Monoisotopic Mass657.23472455
Topological Polar Surface Area209 Ų
Heavy Atom Count48
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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