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Chemical ID: 6644190
Chemical ID:
6644190
Name [?]:
[2-methoxy-4-[[2-(4-phenylphenoxy)acetyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C29H24N2O5/c1-34-27-18-21(12-17-26(27)36-29(33)24-10-6-3-7-11-24)19-30-31-28(32)20-35-25-15-13-23(14-16-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,34,15,33,35,14,16,32,36,13,17,6,27,29,26,30,7,4,18,23,5,31,28,12,25,8,3,21,10,19,20,22,11,2,24,9/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:36nCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s5;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24N2O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1679 |
Area: | 760.948 |
Solvation: | -7.85575 |
Coulombic: | -55.7912 |
Bond Count [?]
All: | 39 |
Single: | 24 |
Double: | 15 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.511 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.76 |
LogP (Chemaxon): | 5.68 |
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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