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Chemical ID: 7705572
Chemical ID:
7705572
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3cccc(c3)C
InChi [?]:
InChI=1/C25H25ClN2O4/c1-3-30-24-14-20(9-12-23(24)32-16-19-7-10-21(26)11-8-19)15-27-28-25(29)17-31-22-6-4-5-18(2)13-22/h4-15H,3,16-17H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,32,2,28,29,27,13,17,7,14,16,8,31,5,19,11,24,30,12,6,15,26,9,4,22,18,20,21,23,3,25,10/E:(7,8)(10,11)/rA:32nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN2O4 |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.63503 |
Area: | 749.343 |
Solvation: | -9.09855 |
Coulombic: | -41.5535 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.43 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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