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Chemical ID: 6646976
Chemical ID:
6646976
Name [?]:
[2-methoxy-4-[[2-(1-naphthyl)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)Cc3cccc4c3cccc4
InChi [?]:
InChI=1/C28H24N2O5/c1-33-23-13-11-21(12-14-23)28(32)35-25-15-10-19(16-26(25)34-2)18-29-30-27(31)17-22-8-5-7-20-6-3-4-9-24(20)22/h3-16,18H,17H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,19,34,33,28,35,29,27,32,14,5,7,4,8,13,16,25,20,15,30,6,26,3,31,12,17,23,9,21,22,24,10,2,18,11/E:(11,12)(13,14)/rA:35nCOCCCCCCCOOCCCCCCOCCNNCOCCCCCCCCCCC/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;d27;s28;d29;d26s30;s31;d32;s33;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24N2O5 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4808 |
Area: | 722.038 |
Solvation: | -7.57013 |
Coulombic: | -53.6712 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.14 |
LogP (Chemaxon): | 5.08 |
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.
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