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Chemical ID: 6970557
Chemical ID:
6970557
Name [?]:
N-[(3,4-dimethoxyphenyl)methyleneamino]-2-(2-isopropyl-5-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC)C(C)C
InChi [?]:
InChI=1/C21H26N2O4/c1-14(2)17-8-6-15(3)10-19(17)27-13-21(24)23-22-12-16-7-9-18(25-4)20(11-16)26-5/h6-12,14H,13H2,1-5H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:26,27,1,24,22,3,16,4,17,7,20,14,9,25,2,15,5,18,6,19,10,13,12,11,23,21,8/E:(1,2)/rA:27nCCCCCCCOCCONNCCCCCCCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s5;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O4 |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.9383 |
Area: | 633.647 |
Solvation: | -8.90288 |
Coulombic: | -39.7278 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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