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Chemical ID: 7496801
Chemical ID:
7496801
Name [?]:
N-[(2,4-dimethoxyphenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2ccc(cc2OC)OC
InChi [?]:
InChI=1/C20H24N2O4/c1-14(2)17-7-5-6-8-18(17)26-13-20(23)22-21-12-15-9-10-16(24-3)11-19(15)25-4/h5-12,14H,13H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,26,24,6,7,5,8,18,19,21,16,11,2,17,20,4,9,22,12,15,14,13,25,23,10/E:(1,2)/rA:26nCCCCCCCCCOCCONNCCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N2O4 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.05195 |
Area: | 599.972 |
Solvation: | -8.94735 |
Coulombic: | -38.5394 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 356.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.7 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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