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Chemical ID: 6182191
Chemical ID:
6182191
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)NCC(=O)NN=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C19H21N3O5/c1-25-15-6-4-5-13(9-15)19(24)20-12-18(23)22-21-11-14-10-16(26-2)7-8-17(14)27-3/h4-11H,12H2,1-3H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,25,5,6,4,21,22,8,19,17,12,7,18,3,20,23,13,9,11,16,15,14,10,2,26,24/rA:27nCOCCCCCCCONCCONNCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7927 |
Area: | 613.067 |
Solvation: | -7.53397 |
Coulombic: | -61.0364 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 371.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.91 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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