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Chemical ID: 7691304
Chemical ID:
7691304
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(nn(c2n1)C(C)C)C)C(=O)NC34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C22H30N4O/c1-12(2)26-20-19(14(4)25-26)18(5-13(3)23-20)21(27)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h5,12,15-17H,6-11H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:12,13,1,14,3,21,24,26,23,19,27,11,2,6,22,20,25,4,5,9,15,18,10,17,7,8,16/E:(1,2)(6,7,8)(9,10,11)(15,16,17)/rA:27nCCCCCCNNCNCCCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s8;s11;s11;s6;s4;d15;s15;s17;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H30N4O |
All Atoms: | 57 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5878 |
Area: | 552.678 |
Solvation: | -2.22916 |
Coulombic: | -32.0332 |
Bond Count [?]
All: | 31 |
Single: | 26 |
Double: | 5 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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