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Chemical ID: 5794931
Chemical ID:
5794931
Name [?]:
N-[(3-hydroxyphenyl)methyleneaminocarbamoylmethyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)NCC(=O)NN=Cc2cccc(c2)O
InChi [?]:
InChI=1/C19H21N3O6/c1-26-15-8-13(9-16(27-2)18(15)28-3)19(25)20-11-17(24)22-21-10-12-5-4-6-14(23)7-12/h4-10,23H,11H2,1-3H3,(H,20,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,24,23,25,27,4,6,21,16,22,5,26,3,7,17,8,13,15,20,19,28,18,14,2,11,9/E:(1,2)(8,9)(15,16)(26,27)/rA:28nCOCCCCCCOCOCCONCCONNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O6 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.25943 |
Area: | 621.293 |
Solvation: | -9.27289 |
Coulombic: | -76.0953 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 387.387 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 9 |
XLogP: | 2.1 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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