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Chemical ID: 7703451
Chemical ID:
7703451
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3)C
InChi [?]:
InChI=1/C25H24N2O5/c1-3-30-21-13-9-20(10-14-21)25(29)32-22-11-7-19(8-12-22)16-26-27-24(28)17-31-23-6-4-5-18(2)15-23/h4-16H,3,17H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,32,2,28,29,27,15,17,6,8,14,18,5,9,31,19,24,30,16,7,4,13,26,22,10,20,21,23,11,3,25,12/E:(7,8)(9,10)(11,12)(13,14)/rA:32nCCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5272 |
Area: | 727.287 |
Solvation: | -7.65497 |
Coulombic: | -53.3648 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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