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Chemical ID: 6629033
Chemical ID:
6629033
Name [?]:
[4-[[2-(4-fluorophenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 4-propoxybenzoate
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)COc3ccc(cc3)F
InChi [?]:
InChI=1/C26H25FN2O6/c1-3-14-33-21-9-5-19(6-10-21)26(31)35-23-13-4-18(15-24(23)32-2)16-28-29-25(30)17-34-22-11-7-20(27)8-12-22/h4-13,15-16H,3,14,17H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,21,2,16,7,9,31,33,6,10,30,34,15,3,18,22,27,17,8,32,5,29,14,19,25,11,35,23,24,26,12,20,4,28,13/E:(5,6)(7,8)(9,10)(11,12)/rA:35nCCCOCCCCCCCOOCCCCCCOCCNNCOCOCCCCCCF/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;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25FN2O6 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14223 |
Area: | 753.883 |
Solvation: | -9.70483 |
Coulombic: | -63.6328 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 480.485 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 5.68 |
LogP (Chemaxon): | 4.69 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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