Chemical ID: 5586264

CCOc1cc(c(cc1N2CCOCC2)OCC)NC(=O)C=Cc3ccc(cc3Cl)Cl
Chemical ID:
5586264
Name [?]:
3-(2,4-dichlorophenyl)-N-(2,5-diethoxy-4-morpholino-phenyl)-prop-2-enamide
SMILES [?]:
CCOc1cc(c(cc1N2CCOCC2)OCC)NC(=O)C=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H26Cl2N2O4/c1-3-30-21-15-20(27-9-11-29-12-10-27)22(31-4-2)14-19(21)26-23(28)8-6-16-5-7-17(24)13-18(16)25/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:18,1,17,2,25,23,26,22,11,15,12,14,28,5,8,24,27,29,6,9,7,4,20,31,30,19,10,21,13,16,3/E:(9,10)(11,12)/rA:31nCCOCCCCCCNCCOCCOCCNCOCCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s10s14;s7;s16;s17;s6;s19;d20;s20;w22;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26Cl2N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.2737
Area:685.565
Solvation:-5.86543
Coulombic:-51.6907
Bond Count [?]
All:33
Single:25
Double:8
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:465.369
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.99
LogP (Chemaxon):4.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue