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Chemical ID: 6647090
Chemical ID:
6647090
Name [?]:
[4-[[2-(3-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C24H22N2O5/c1-17-4-3-5-22(14-17)30-16-23(27)26-25-15-18-6-10-21(11-7-18)31-24(28)19-8-12-20(29-2)13-9-19/h3-15H,16H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,31,4,3,5,16,20,25,29,17,19,26,28,7,14,9,2,15,24,27,18,6,10,22,13,12,11,23,30,8,21/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.566 |
Area: | 684.968 |
Solvation: | -7.55819 |
Coulombic: | -53.1426 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.53 |
LogP (Chemaxon): | 4.46 |
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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