Chemical ID: 4906259

CCN(CC)CCOc1ccc(cc1)C=C(C#N)c2ccc(cc2)OCCN(CC)CC
Chemical ID:
4906259
Name [?]:
2,3-bis[4-(2-diethylaminoethoxy)phenyl]prop-2-enenitrile
SMILES [?]:
CCN(CC)CCOc1ccc(cc1)C=C(C#N)c2ccc(cc2)OCCN(CC)CC
InChi [?]:
InChI=1/C27H37N3O2/c1-5-29(6-2)17-19-31-26-13-9-23(10-14-26)21-25(22-28)24-11-15-27(16-12-24)32-20-18-30(7-3)8-4/h9-16,21H,5-8,17-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,30,32,2,4,29,31,11,13,20,24,10,14,21,23,6,27,7,26,15,17,12,19,16,9,22,18,3,28,8,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:32nCCNCCCCOCCCCCCCCCNCCCCCCOCCNCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;t17;s16;s19;d20;s21;d22;d19s23;s22;s25;s26;s27;s28;s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H37N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.9046
Area:756.985
Solvation:-6.02004
Coulombic:-29.0061
Bond Count [?]
All:33
Single:25
Double:7
Rotors:14
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:435.602
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.1
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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