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Chemical ID: 6650302
Chemical ID:
6650302
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C19H21N3O4/c1-13-5-4-6-14(9-13)19(24)20-12-18(23)22-21-11-15-10-16(25-2)7-8-17(15)26-3/h4-11H,12H2,1-3H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,24,4,3,5,20,21,7,18,16,11,2,6,17,19,22,12,8,10,15,14,13,9,25,23/rA:26nCCCCCCCCONCCONNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81016 |
Area: | 596.927 |
Solvation: | -6.113 |
Coulombic: | -54.8814 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 355.388 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.43 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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