Chemical ID: 5876110

Cc1cccc(c1NC(=O)N(CCC(c2ccccc2)c3ccccc3)Cc4ccc(cc4)C(C)(C)C)C
Chemical ID:
5876110
Name [?]:
3-(2,6-dimethylphenyl)-1-(3,3-diphenylpropyl)-1-[(4-tert-butylphenyl)methyl]urea
SMILES [?]:
Cc1cccc(c1NC(=O)N(CCC(c2ccccc2)c3ccccc3)Cc4ccc(cc4)C(C)(C)C)C
InChi [?]:
InChI=1/C35H40N2O/c1-26-13-12-14-27(2)33(26)36-34(38)37(25-28-19-21-31(22-20-28)35(3,4)5)24-23-32(29-15-8-6-9-16-29)30-17-10-7-11-18-30/h6-22,32H,23-25H2,1-5H3,(H,36,38)
InChi Info:
AuxInfo=1/1/N:1,38,35,36,37,18,24,17,19,23,25,4,3,5,16,20,22,26,29,33,30,32,13,12,27,2,6,28,15,21,31,14,7,9,34,8,11,10/E:(1,2)(3,4,5)(6,7)(8,9,10,11)(13,14)(15,16,17,18)(19,20)(21,22)(26,27)(29,30)/rA:38nCCCCCCCNCONCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s14;s21;d22;s23;d24;d21s25;s11;s27;s28;d29;s30;d31;d28s32;s31;s34;s34;s34;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C35H40N2O
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:16.2067
Area:771.469
Solvation:-3.08006
Coulombic:-36.6985
Bond Count [?]
All:41
Single:28
Double:13
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:504.705
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:8.75
LogP (Chemaxon):8.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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