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Chemical ID: 7704828
Chemical ID:
7704828
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2c(n3cccnc3n2)NC(=O)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C23H22N4O4/c1-14-6-8-15(9-7-14)19-21(27-11-5-10-24-23(27)25-19)26-22(28)16-12-17(29-2)20(31-4)18(13-16)30-3/h5-13H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,31,29,12,3,7,4,6,13,11,25,21,2,5,20,24,22,8,23,9,18,15,14,16,17,10,19,26,30,28/E:(2,3)(6,7)(8,9)(12,13)(17,18)(29,30)/rA:31nCCCCCCCCCNCCCNCNNCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s9;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N4O4 |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.16781 |
Area: | 633.612 |
Solvation: | -7.67248 |
Coulombic: | -60.3715 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.49 |
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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