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Chemical ID: 6646835
Chemical ID:
6646835
Name [?]:
[4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)OC
InChi [?]:
InChI=1/C24H22N2O6/c1-29-19-9-5-18(6-10-19)24(28)32-22-7-3-17(4-8-22)15-25-26-23(27)16-31-21-13-11-20(30-2)12-14-21/h3-15H,16H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,32,14,16,5,7,13,17,4,8,27,29,26,30,18,23,15,6,3,28,25,12,21,9,19,20,22,10,2,31,24,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32nCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66759 |
Area: | 702.642 |
Solvation: | -8.89847 |
Coulombic: | -59.3399 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 434.441 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 5.01 |
LogP (Chemaxon): | 3.74 |
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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