Chemical ID: 6312279

c1cc(cc(c1)NC(=O)N(CCN2CCOCC2)Cc3ccncc3)C(F)(F)F
Chemical ID:
6312279
Name [?]:
1-(2-morpholinoethyl)-1-(4-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1cc(cc(c1)NC(=O)N(CCN2CCOCC2)Cc3ccncc3)C(F)(F)F
InChi [?]:
InChI=1/C20H23F3N4O2/c21-20(22,23)17-2-1-3-18(14-17)25-19(28)27(15-16-4-6-24-7-5-16)9-8-26-10-12-29-13-11-26/h1-7,14H,8-13,15H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,21,25,22,24,12,11,14,18,15,17,4,19,20,3,5,8,26,27,28,29,23,7,13,10,9,16/E:(4,5)(6,7)(10,11)(12,13)(21,22,23)/rA:29nCCCCCCNCONCCNCCOCCCCCCNCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s10;s19;s20;d21;s22;d23;d20s24;s3;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23F3N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.83715
Area:603.985
Solvation:-5.26248
Coulombic:-66.0878
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.418
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.89
LogP (Chemaxon):2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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