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Chemical ID: 4130214
Chemical ID:
4130214
Name [?]:
[2-ethoxy-4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)OC
InChi [?]:
InChI=1/C25H23ClN2O6/c1-3-32-23-14-17(4-13-22(23)34-25(30)18-5-7-19(26)8-6-18)15-27-28-24(29)16-33-21-11-9-20(31-2)10-12-21/h4-15H,3,16H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,34,2,7,14,18,15,17,29,31,28,32,8,5,20,25,6,13,16,30,27,9,4,23,11,19,21,22,24,12,33,3,26,10/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCCOCCCCCCOCOCCCCCCClCNNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s6;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23ClN2O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1867 |
Area: | 756.892 |
Solvation: | -8.73555 |
Coulombic: | -60.5807 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 482.913 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 5.78 |
LogP (Chemaxon): | 4.6 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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