Chemical ID: 6538893

Cc1cc(c(c(c1)C)NC(=O)NC(C)(C)c2cccc(c2)C(=C)C)C
Chemical ID:
6538893
Name [?]:
3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-1-(2,4,6-trimethylphenyl)-urea
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)NC(C)(C)c2cccc(c2)C(=C)C)C
InChi [?]:
InChI=1/C22H28N2O/c1-14(2)18-9-8-10-19(13-18)22(6,7)24-21(25)23-20-16(4)11-15(3)12-17(20)5/h8-13H,1H2,2-7H3,(H2,23,24,25)
InChi Info:
AuxInfo=1/1/N:23,24,1,8,25,14,15,18,19,17,7,3,21,22,2,6,4,20,16,5,10,13,9,12,11/E:(4,5)(6,7)(11,12)(16,17)/rA:25nCCCCCCCCNCONCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s13;s13;s16;d17;s18;d19;d16s20;s20;d22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.4054
Area:572.095
Solvation:-1.89695
Coulombic:-37.9051
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.471
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.44
LogP (Chemaxon):4.52

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Descriptor Annotations

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