ChemDB: Chemical Search
Download
Chemical ID: 4155027
Chemical ID:
4155027
Name [?]:
ethyl 2-cyano-3-[4-[3-(4-ethoxyphenyl)prop-2-enoyloxy]-3-methoxy-phenyl]-prop-2-enoate
SMILES [?]:
CCOc1ccc(cc1)C=CC(=O)Oc2ccc(cc2OC)C=C(C#N)C(=O)OCC
InChi [?]:
InChI=1/C24H23NO6/c1-4-29-20-10-6-17(7-11-20)9-13-23(26)31-21-12-8-18(15-22(21)28-3)14-19(16-25)24(27)30-5-2/h6-15H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,22,2,30,6,8,17,10,5,9,16,11,23,19,25,7,18,24,4,15,20,12,27,26,13,28,21,3,29,14/E:(6,7)(10,11)/rA:31nCCOCCCCCCCCCOOCCCCCCOCCCCNCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;w23;s24;t25;s24;d27;s27;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8603 |
Area: | 682.711 |
Solvation: | -6.20744 |
Coulombic: | -57.3748 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 421.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.03 |
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 |
---|