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Chemical ID: 4544434
Chemical ID:
4544434
Name [?]:
2-(2-chlorophenoxy)-N-[(2-isopropoxyphenyl)methyleneamino]acetamide
SMILES [?]:
CC(C)Oc1ccccc1C=NNC(=O)COc2ccccc2Cl
InChi [?]:
InChI=1/C18H19ClN2O3/c1-13(2)24-16-9-5-3-7-14(16)11-20-21-18(22)12-23-17-10-6-4-8-15(17)19/h3-11,13H,12H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,8,21,7,20,9,22,6,19,11,16,2,10,23,5,18,14,24,12,13,15,17,4/E:(1,2)/rA:24nCCCOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98128 |
Area: | 575.27 |
Solvation: | -6.40046 |
Coulombic: | -34.6524 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.808 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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