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Chemical ID: 7704733
Chemical ID:
7704733
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccccc2Cl)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H20Cl2N2O5/c1-15(32-18-10-8-17(25)9-11-18)23(29)28-27-14-16-7-12-21(22(13-16)31-2)33-24(30)19-5-3-4-6-20(19)26/h3-15H,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,15,21,22,20,23,9,29,31,28,32,10,13,7,2,8,30,27,19,24,11,12,3,17,33,25,6,5,4,18,14,26,16/E:(8,9)(10,11)/rA:33cCCCONNCCCCCCCOCOCOCCCCCCClOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s2;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20Cl2N2O5 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0557 |
Area: | 730.116 |
Solvation: | -7.19723 |
Coulombic: | -55.0814 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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