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Chemical ID: 4151393
Chemical ID:
4151393
Name [?]:
ethyl 2-cyano-3-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]-3-methoxy-phenyl]-prop-2-enoate
SMILES [?]:
CCOC(=O)C(=Cc1ccc(c(c1)OC)OC(=O)C=Cc2ccc(c(c2)OC)OC)C#N
InChi [?]:
InChI=1/C24H23NO7/c1-5-31-24(27)18(15-25)12-17-7-10-20(22(14-17)30-4)32-23(26)11-8-16-6-9-19(28-2)21(13-16)29-3/h6-14H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,28,15,2,22,9,20,23,10,19,7,26,13,31,21,8,6,24,11,25,12,17,4,32,18,5,29,27,14,3,16/rA:32nCCOCOCCCCCCCCOCOCOCCCCCCCCOCOCCN/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s6;t31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO7 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40154 |
Area: | 642.809 |
Solvation: | -8.66869 |
Coulombic: | -62.9433 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 2 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 437.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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