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Chemical ID: 6410099
Chemical ID:
6410099
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-2-(1-naphthyloxy)propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccccc1O)Oc2cccc3c2cccc3
InChi [?]:
InChI=1/C20H18N2O3/c1-14(20(24)22-21-13-16-8-3-5-11-18(16)23)25-19-12-6-9-15-7-2-4-10-17(15)19/h2-14,23H,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,10,23,11,18,25,9,19,22,12,17,7,2,20,8,21,13,16,3,6,5,14,4,15/rA:25cCCCONNCCCCCCCOOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s2;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.80964 |
Area: | 545.781 |
Solvation: | -5.83488 |
Coulombic: | -44.314 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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