Chemical ID: 4151393

CCOC(=O)C(=Cc1ccc(c(c1)OC)OC(=O)C=Cc2ccc(c(c2)OC)OC)C#N
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

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Descriptor Annotations

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