Chemical ID: 6834423

CC(C)(C)c1ccc(cc1)OC(=O)C(=Cc2ccccc2)C#N
Chemical ID:
6834423
Name [?]:
(4-tert-butylphenyl) 2-cyano-3-phenyl-prop-2-enoate
SMILES [?]:
CC(C)(C)c1ccc(cc1)OC(=O)C(=Cc2ccccc2)C#N
InChi [?]:
InChI=1/C20H19NO2/c1-20(2,3)17-9-11-18(12-10-17)23-19(22)16(14-21)13-15-7-5-4-6-8-15/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,19,18,20,17,21,6,10,7,9,15,22,16,14,5,8,12,2,23,13,11/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCCCCCCOCOCCCCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s14;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO2
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0809
Area:531.33
Solvation:-2.20238
Coulombic:-25.9001
Bond Count [?]
All:24
Single:15
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:305.37
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.83
LogP (Chemaxon):5.34

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