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Chemical ID: 7703199
Chemical ID:
7703199
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)COc3ccc(c(c3)C)C
InChi [?]:
InChI=1/C25H26N2O3/c1-18-4-7-22(8-5-18)16-29-23-12-9-21(10-13-23)15-26-27-25(28)17-30-24-11-6-19(2)20(3)14-24/h4-15H,16-17H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,29,3,7,25,4,6,12,14,24,11,15,28,16,8,21,2,26,27,13,5,10,23,19,17,18,20,9,22/E:(4,5)(7,8)(9,10)(12,13)/rA:30nCCCCCCCCOCCCCCCCNNCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0914 |
Area: | 695.633 |
Solvation: | -7.29943 |
Coulombic: | -34.4681 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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