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Chemical ID: 6629134
Chemical ID:
6629134
Name [?]:
[2-methoxy-4-[(2-phenoxyacetyl)aminoiminomethyl]phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccccc3
InChi [?]:
InChI=1/C26H26N2O6/c1-3-15-32-22-12-10-20(11-13-22)26(30)34-23-14-9-19(16-24(23)31-2)17-27-28-25(29)18-33-21-7-5-4-6-8-21/h4-14,16-17H,3,15,18H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,21,2,32,31,33,30,34,16,7,9,6,10,15,3,18,22,27,17,8,29,5,14,19,25,11,23,24,26,12,20,4,28,13/E:(5,6)(7,8)(10,11)(12,13)/rA:34nCCCOCCCCCCCOOCCCCCCOCCNNCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.037 |
Area: | 749.088 |
Solvation: | -8.69021 |
Coulombic: | -61.1621 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 462.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 5.52 |
LogP (Chemaxon): | 4.55 |
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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