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Chemical ID: 6627824
Chemical ID:
6627824
Name [?]:
[3-[[2-(4-ethylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
CCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H21ClN2O4/c1-2-17-6-12-21(13-7-17)30-16-23(28)27-26-15-18-4-3-5-22(14-18)31-24(29)19-8-10-20(25)11-9-19/h3-15H,2,16H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,4,8,26,30,27,29,5,7,21,15,10,3,16,25,28,6,20,11,23,31,14,13,12,24,9,22/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClN2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5672 |
Area: | 709.895 |
Solvation: | -6.18019 |
Coulombic: | -47.3717 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 436.887 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.7 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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