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Chemical ID: 6675836
Chemical ID:
6675836
Name [?]:
2-benzamido-N-[(3-ethoxy-4-methoxy-phenyl)methyleneamino]benzamide
SMILES [?]:
CCOc1cc(ccc1OC)C=NNC(=O)c2ccccc2NC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H23N3O4/c1-3-31-22-15-17(13-14-21(22)30-2)16-25-27-24(29)19-11-7-8-12-20(19)26-23(28)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,11,2,29,28,30,19,20,27,31,18,21,7,8,5,12,6,26,17,22,9,4,24,15,13,23,14,25,16,10,3/E:(5,6)(9,10)/rA:31nCCOCCCCCCOCCNNCOCCCCCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46434 |
Area: | 655.315 |
Solvation: | -6.91852 |
Coulombic: | -56.6586 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 417.457 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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