Chemical ID: 5419606

CC(C)(C)c1ccc(cc1)C=C2c3ccccc3N(C2=O)C
Chemical ID:
5419606
Name [?]:
1-methyl-3-[(4-tert-butylphenyl)methylene]indolin-2-one
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=C2c3ccccc3N(C2=O)C
InChi [?]:
InChI=1/C20H21NO/c1-20(2,3)15-11-9-14(10-12-15)13-17-16-7-5-6-8-18(16)21(4)19(17)22/h5-13H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,15,16,14,17,7,9,6,10,11,8,5,13,12,18,20,2,19,21/E:(1,2,3)(9,10)(11,12)/rA:22nCCCCCCCCCCCCCCCCCCNCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5546
Area:487.921
Solvation:-1.6434
Coulombic:-20.6698
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:291.387
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.06
LogP (Chemaxon):4.54

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Descriptor Annotations

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