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Chemical ID: 7707516
Chemical ID:
7707516
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(c(c3)C)C
InChi [?]:
InChI=1/C26H27ClN2O4/c1-4-31-25-14-21(8-12-24(25)33-16-20-6-9-22(27)10-7-20)15-28-29-26(30)17-32-23-11-5-18(2)19(3)13-23/h5-15H,4,16-17H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,33,32,2,28,13,17,7,14,16,27,8,31,5,19,11,24,29,30,12,6,15,26,9,4,22,18,20,21,23,3,25,10/E:(6,7)(9,10)/rA:33nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCC/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;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN2O4 |
All Atoms: | 60 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1483 |
Area: | 771.982 |
Solvation: | -9.15122 |
Coulombic: | -41.3164 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.87 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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