Chemical ID: 4158686

CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2OCC)C=C(C#N)C(=O)OCC
Chemical ID:
4158686
Name [?]:
ethyl 2-cyano-3-[3-ethoxy-4-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyloxy]phenyl]-prop-2-enoate
SMILES [?]:
CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2OCC)C=C(C#N)C(=O)OCC
InChi [?]:
InChI=1/C27H29NO7/c1-5-14-34-22-11-8-19(16-24(22)31-4)10-13-26(29)35-23-12-9-20(17-25(23)32-6-2)15-21(18-28)27(30)33-7-3/h8-13,15-17H,5-7,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,35,12,2,25,34,7,20,13,6,19,14,3,27,9,22,29,8,21,28,5,18,10,23,15,31,30,16,32,11,24,33,4,17/rA:35nCCCOCCCCCCOCCCCOOCCCCCCOCCCCCNCOOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s21;w27;s28;t29;s28;d31;s31;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29NO7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.2387
Area:772.396
Solvation:-8.07123
Coulombic:-64.462
Bond Count [?]
All:36
Single:25
Double:10
Rotors:14
Chiral:2
Rigid Segments:11
Chemical Properties
Molecular Weight:479.522
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:5.06
LogP (Chemaxon):4.59

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Descriptor Annotations

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