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Chemical ID: 6651895
Chemical ID:
6651895
Name [?]:
3,4,5-trimethoxy-N-(p-tolylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C=NNC(=O)CNC(=O)c2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C20H23N3O5/c1-13-5-7-14(8-6-13)11-22-23-18(24)12-21-20(25)15-9-16(26-2)19(28-4)17(10-15)27-3/h5-11H,12H2,1-4H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,28,26,3,7,4,6,22,18,8,13,2,5,17,21,19,11,20,15,14,9,10,12,16,23,27,25/E:(2,3)(5,6)(7,8)(9,10)(16,17)(26,27)/rA:28nCCCCCCCCNNCOCNCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38435 |
Area: | 626.685 |
Solvation: | -8.28277 |
Coulombic: | -61.1118 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 385.414 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.95 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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