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Chemical ID: 7707613
Chemical ID:
7707613
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3cccc(c3)Cl
InChi [?]:
InChI=1/C24H22Cl2N2O4/c1-2-30-23-12-18(8-11-22(23)32-15-17-6-9-19(25)10-7-17)14-27-28-24(29)16-31-21-5-3-4-20(26)13-21/h3-14H,2,15-16H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,28,29,27,13,17,7,14,16,8,5,31,19,11,24,12,6,15,30,26,9,4,22,18,32,20,21,23,3,25,10/E:(6,7)(9,10)/rA:32nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCl/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: | C24H22Cl2N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.93451 |
Area: | 764.975 |
Solvation: | -9.18985 |
Coulombic: | -41.6188 |
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: | 6.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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