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Chemical ID: 6629852
Chemical ID:
6629852
Name [?]:
[2-ethoxy-4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)COc3ccc(cc3)OC
InChi [?]:
InChI=1/C27H28N2O7/c1-4-33-22-9-7-20(8-10-22)27(31)36-24-15-6-19(16-25(24)34-5-2)17-28-29-26(30)18-35-23-13-11-21(32-3)12-14-23/h6-17H,4-5,18H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,21,36,2,20,15,6,8,5,9,31,33,30,34,14,17,22,27,16,7,32,4,29,13,18,25,10,23,24,26,11,35,3,19,28,12/E:(7,8)(9,10)(11,12)(13,14)/rA:36nCCOCCCCCCCOOCCCCCCOCCCNNCOCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s16;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28N2O7 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63416 |
Area: | 784.651 |
Solvation: | -9.98212 |
Coulombic: | -66.9648 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 14 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 492.521 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 5.5 |
LogP (Chemaxon): | 4.17 |
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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