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Chemical ID: 5586264
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
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Experimental Annotations
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Descriptor Annotations
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