Chemical ID: 5876502

Cc1cccc(c1)NC(=O)N(CCCNC(=O)Nc2c(cccc2C)C)c3ccc(cc3)F
Chemical ID:
5876502
Name [?]:
1-[3-[(2,6-dimethylphenyl)carbamoylamino]propyl]-1-(4-fluorophenyl)-3-(m-tolyl)urea
SMILES [?]:
Cc1cccc(c1)NC(=O)N(CCCNC(=O)Nc2c(cccc2C)C)c3ccc(cc3)F
InChi [?]:
InChI=1/C26H29FN4O2/c1-18-7-4-10-22(17-18)29-26(33)31(23-13-11-21(27)12-14-23)16-6-15-28-25(32)30-24-19(2)8-5-9-20(24)3/h4-5,7-14,17H,6,15-16H2,1-3H3,(H,29,33)(H2,28,30,32)
InChi Info:
AuxInfo=1/1/N:1,25,26,4,22,13,3,23,21,5,29,31,28,32,14,12,7,2,24,20,30,6,27,19,16,9,33,15,8,18,11,17,10/E:(2,3)(8,9)(11,12)(13,14)(19,20)/rA:33nCCCCCCCNCONCCCNCONCCCCCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s20;s11;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29FN4O2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.4191
Area:712.176
Solvation:-4.38528
Coulombic:-69.1521
Bond Count [?]
All:35
Single:24
Double:11
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:448.533
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:4.74
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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