Chemical ID: 4155027

CCOc1ccc(cc1)C=CC(=O)Oc2ccc(cc2OC)C=C(C#N)C(=O)OCC
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

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Descriptor Annotations

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