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Chemical ID: 4246503
Chemical ID:
4246503
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2C3C4CCC(C4)C3c5cc(ccc5N2)C(=O)Nc6cccnc6
InChi [?]:
InChI=1/C26H25N3O/c30-26(28-20-7-4-12-27-15-20)19-10-11-22-21(14-19)23-17-8-9-18(13-17)24(23)25(29-22)16-5-2-1-3-6-16/h1-7,10-12,14-15,17-18,23-25,29H,8-9,13H2,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,27,3,5,26,11,10,18,19,28,13,16,30,4,12,9,17,25,15,20,14,8,7,22,29,24,21,23/E:(2,3)(5,6)/rA:30cCCCCCCCCCCCCCCCCCCCCNCONCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s9s12;s8s12;s14;s15;d16;s17;d18;d15s19;s7s20;s17;d22;s22;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25N3O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 11.8374 |
Area: | 584.703 |
Solvation: | -2.78021 |
Coulombic: | -40.1813 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 395.496 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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