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Chemical ID: 6909134
Chemical ID:
6909134
Name [?]:
ethyl 2-cyano-3-[3-ethoxy-4-[3-(4-ethoxyphenyl)prop-2-enoyloxy]phenyl]-prop-2-enoate
SMILES [?]:
CCOc1ccc(cc1)C=CC(=O)Oc2ccc(cc2OCC)C=C(C#N)C(=O)OCC
InChi [?]:
InChI=1/C25H25NO6/c1-4-29-21-11-7-18(8-12-21)10-14-24(27)32-22-13-9-19(16-23(22)30-5-2)15-20(17-26)25(28)31-6-3/h7-16H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,32,2,22,31,6,8,17,10,5,9,16,11,24,19,26,7,18,25,4,15,20,12,28,27,13,29,3,21,30,14/E:(7,8)(11,12)/rA:32nCCOCCCCCCCCCOOCCCCCCOCCCCCNCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s18;w24;s25;t26;s25;d28;s28;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25NO6 |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6461 |
Area: | 710.059 |
Solvation: | -6.10534 |
Coulombic: | -57.6424 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 435.469 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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