Chemical ID: 5456611

Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc3ccc(cc3)C(C)(C)C
Chemical ID:
5456611
Name [?]:
5-methyl-1-[3-(4-tert-butylphenoxy)propyl]indoline-2,3-dione
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C22H25NO3/c1-15-6-11-19-18(14-15)20(24)21(25)23(19)12-5-13-26-17-9-7-16(8-10-17)22(2,3)4/h6-11,14H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,26,14,3,19,21,18,22,4,13,15,7,2,20,17,6,5,8,10,23,12,9,11,16/E:(2,3,4)(7,8)(9,10)/rA:26nCCCCCCCCOCONCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;s12;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1417
Area:594.463
Solvation:-3.71987
Coulombic:-36.7188
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.439
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.07
LogP (Chemaxon):4.64

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Descriptor Annotations

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