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Chemical ID: 5794429
Chemical ID:
5794429
Name [?]:
2-(2,4-dichlorophenoxy)-N-[(3-methoxy-4-pentoxy-phenyl)methyleneamino]acetamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C=NNC(=O)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C21H24Cl2N2O4/c1-3-4-5-10-28-19-8-6-15(11-20(19)27-2)13-24-25-21(26)14-29-18-9-7-16(22)12-17(18)23/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,4,9,24,8,23,5,11,26,15,20,10,25,27,22,7,12,18,29,28,16,17,19,13,6,21/rA:29nCCCCCOCCCCCCOCCNNCOCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;w15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24Cl2N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6052 |
Area: | 712.505 |
Solvation: | -9.20743 |
Coulombic: | -40.1278 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 439.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.4 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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