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Chemical ID: 6433403
Chemical ID:
6433403
Name [?]:
2-(4-chlorophenoxy)-N-[(2-ethoxy-1-naphthyl)methyleneamino]acetamide
SMILES [?]:
CCOc1ccc2ccccc2c1C=NNC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H19ClN2O3/c1-2-26-20-12-7-15-5-3-4-6-18(15)19(20)13-23-24-21(25)14-27-17-10-8-16(22)9-11-17/h3-13H,2,14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,8,11,6,23,25,22,26,5,14,19,7,24,21,12,13,4,17,27,15,16,18,3,20/E:(8,9)(10,11)/rA:27nCCOCCCCCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;w14;s15;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19ClN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40097 |
Area: | 607.276 |
Solvation: | -6.78092 |
Coulombic: | -34.0342 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.84 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.9 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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