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Chemical ID: 6987645
Chemical ID:
6987645
Name [?]:
2-(2-isopropylphenoxy)-N-(1-naphthylmethyleneamino)acetamide
SMILES [?]:
CC(C)c1ccccc1OCC(=O)NN=Cc2cccc3c2cccc3
InChi [?]:
InChI=1/C22H22N2O2/c1-16(2)19-11-5-6-13-21(19)26-15-22(25)24-23-14-18-10-7-9-17-8-3-4-12-20(17)18/h3-14,16H,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,25,24,6,7,19,26,20,18,5,23,8,16,11,2,21,17,4,22,9,12,15,14,13,10/E:(1,2)/rA:26nCCCCCCCCCOCCONNCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O2 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99265 |
Area: | 579.331 |
Solvation: | -5.49062 |
Coulombic: | -28.561 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.14 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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