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Chemical ID: 6987637
Chemical ID:
6987637
Name [?]:
N-[(3-hydroxy-4-methoxy-phenyl)methyleneamino]-2-(2-isopropylphenoxy)-acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2ccc(c(c2)O)OC
InChi [?]:
InChI=1/C19H22N2O4/c1-13(2)15-6-4-5-7-17(15)25-12-19(23)21-20-11-14-8-9-18(24-3)16(22)10-14/h4-11,13,22H,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,6,7,5,8,18,19,22,16,11,2,17,4,21,9,20,12,15,14,23,13,24,10/E:(1,2)/rA:25nCCCCCCCCCOCCONNCCCCCCCOOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s20;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03269 |
Area: | 593.228 |
Solvation: | -7.79802 |
Coulombic: | -49.2927 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 342.389 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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