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Chemical ID: 7720092
Chemical ID:
7720092
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2c(n(nn2)c3cccc(c3)OC)C)OC
InChi [?]:
InChI=1/C19H20N4O3/c1-12-8-9-17(26-4)16(10-12)20-19(24)18-13(2)23(22-21-18)14-6-5-7-15(11-14)25-3/h5-11H,1-4H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,26,18,17,19,3,4,7,21,2,12,16,20,6,5,11,9,8,15,14,13,10,22,25/rA:26nCCCCCCCNCOCCNNNCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s12;s13;s11d14;s13;s16;d17;s18;d19;d16s20;s20;s22;s12;s5;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N4O3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.74463 |
Area: | 567.871 |
Solvation: | -4.45216 |
Coulombic: | -41.6216 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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