Chemical ID: 6882179

CN(C)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OCc3c(cccc3Cl)Cl
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

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