Chemical ID: 5794429

CCCCCOc1ccc(cc1OC)C=NNC(=O)COc2ccc(cc2Cl)Cl
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

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