Chemical ID: 6317551

c1ccc(c(c1)CN(CCN2CCOCC2)C(=O)Nc3cccc(c3)C(F)(F)F)F
Chemical ID:
6317551
Name [?]:
1-[(2-fluorophenyl)methyl]-1-(2-morpholinoethyl)-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1ccc(c(c1)CN(CCN2CCOCC2)C(=O)Nc3cccc(c3)C(F)(F)F)F
InChi [?]:
InChI=1/C21H23F4N3O2/c22-19-7-2-1-4-16(19)15-28(9-8-27-10-12-30-13-11-27)20(29)26-18-6-3-5-17(14-18)21(23,24)25/h1-7,14H,8-13,15H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,22,6,23,21,3,10,9,12,16,13,15,25,7,5,24,20,4,17,26,30,27,28,29,19,11,8,18,14/E:(10,11)(12,13)(23,24,25)/rA:30nCCCCCCCNCCNCCOCCCONCCCCCCCFFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s8;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s26;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23F4N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.7121
Area:593.662
Solvation:-5.12946
Coulombic:-66.9425
Bond Count [?]
All:32
Single:25
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:425.42
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.31
LogP (Chemaxon):4.03

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Descriptor Annotations

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