Chemical ID: 4247767

Cc1cccc2c1N(C(=O)C2=O)CCOc3ccc(cc3)C(C)(C)C
Chemical ID:
4247767
Name [?]:
7-methyl-1-[2-(4-tert-butylphenoxy)ethyl]indoline-2,3-dione
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CCOc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C21H23NO3/c1-14-6-5-7-17-18(14)22(20(24)19(17)23)12-13-25-16-10-8-15(9-11-16)21(2,3)4/h5-11H,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,25,4,3,5,18,20,17,21,13,14,2,19,16,6,7,11,9,22,8,12,10,15/E:(2,3,4)(8,9)(10,11)/rA:25nCCCCCCCNCOCOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.57557
Area:548.056
Solvation:-4.12583
Coulombic:-36.0653
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.412
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.5
LogP (Chemaxon):4.59

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