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Chemical ID: 6647088
Chemical ID:
6647088
Name [?]:
[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc(cc3)OC
InChi [?]:
InChI=1/C25H24N2O7/c1-30-19-7-5-18(6-8-19)25(29)34-22-13-4-17(14-23(22)32-3)15-26-27-24(28)16-33-21-11-9-20(31-2)10-12-21/h4-15H,16H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,34,19,14,5,7,4,8,29,31,28,32,13,16,20,25,15,6,3,30,27,12,17,23,9,21,22,24,10,2,33,18,26,11/E:(5,6)(7,8)(9,10)(11,12)/rA:34nCOCCCCCCCOOCCCCCCOCCNNCOCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;w20;s21;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s30;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O7 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1607 |
Area: | 731.575 |
Solvation: | -10.1287 |
Coulombic: | -66.4311 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 464.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 4.65 |
LogP (Chemaxon): | 3.49 |
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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