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Chemical ID: 5796003
Chemical ID:
5796003
Name [?]:
[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 3-methoxybenzoate
SMILES [?]:
Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C25H24N2O6/c1-17-7-4-5-10-21(17)32-16-24(28)27-26-15-18-11-12-22(23(13-18)31-3)33-25(29)19-8-6-9-20(14-19)30-2/h4-15H,16H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,33,22,4,5,28,3,27,29,6,16,17,20,31,14,9,2,15,26,30,7,18,19,10,24,13,12,11,25,32,21,8,23/rA:33nCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;d24;s24;s26;d27;s28;d29;d26s30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0548 |
Area: | 713.036 |
Solvation: | -8.7711 |
Coulombic: | -60.32 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 448.468 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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