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Chemical ID: 6882179
Chemical ID:
6882179
Name [?]:
3-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxy-phenyl]-N-(4-dimethylaminophenyl)-prop-2-enamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl
InChi [?]:
InChI=1/C25H24Cl2N2O3/c1-29(2)19-11-9-18(10-12-19)28-25(30)14-8-17-7-13-23(24(15-17)31-3)32-16-20-21(26)5-4-6-22(20)27/h4-15H,16H2,1-3H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,22,28,27,29,16,14,6,8,5,9,17,13,20,24,15,7,4,25,26,30,18,19,11,32,31,10,2,12,21,23/E:(1,2)(5,6)(9,10)(11,12)(21,22)(26,27)/rA:32nCNCCCCCCCNCOCCCCCCCCOCOCCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24Cl2N2O3 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4587 |
Area: | 709.513 |
Solvation: | -6.27909 |
Coulombic: | -43.5145 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 471.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.99 |
LogP (Chemaxon): | 6.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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