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Chemical ID: 7707499
Chemical ID:
7707499
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc4c3cccc4
InChi [?]:
InChI=1/C28H26N2O3/c1-20-10-12-23(13-11-20)19-32-25-16-14-22(15-17-25)18-29-30-28(31)21(2)33-27-9-5-7-24-6-3-4-8-26(24)27/h3-18,21H,19H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,22,32,31,26,33,27,30,25,3,7,4,6,12,14,11,15,16,8,2,21,13,5,28,10,29,24,19,17,18,20,9,23/E:(10,11)(12,13)(14,15)(16,17)/rA:33cCCCCCCCCOCCCCCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s21;s23;s24;d25;s26;d27;d24s28;s29;d30;s31;s28d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.61 |
Area: | 698.019 |
Solvation: | -6.84051 |
Coulombic: | -36.8523 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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