Chemical ID: 6877806

CC(C)c1cccc(c1NC(=O)C=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl)C(C)C
Chemical ID:
6877806
Name [?]:
3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-N-(2,6-diisopropylphenyl)-prop-2-enamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)C=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl)C(C)C
InChi [?]:
InChI=1/C29H32ClNO3/c1-19(2)24-7-6-8-25(20(3)4)29(24)31-28(32)16-12-21-11-15-26(27(17-21)33-5)34-18-22-9-13-23(30)14-10-22/h6-17,19-20H,18H2,1-5H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,3,33,34,22,6,5,7,26,30,16,14,27,29,17,13,20,24,2,32,15,25,28,4,8,18,19,11,9,31,10,12,21,23/E:(1,2,3,4)(7,8)(9,10)(13,14)(19,20)(24,25)/rA:34nCCCCCCCCCNCOCCCCCCCCOCOCCCCCCCClCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s28;s8;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H32ClNO3
All Atoms:66
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.5884
Area:730.038
Solvation:-5.66259
Coulombic:-39.3173
Bond Count [?]
All:36
Single:25
Double:11
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:478.022
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.55
LogP (Chemaxon):6.57

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Descriptor Annotations

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