ChemDB: Chemical Search
Download
Chemical ID: 6877806
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|