Chemical ID: 4749631

CCOc1ccsc1NC(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
4749631
Name [?]:
1-(3-ethoxy-2-thienyl)-3-[3-(trifluoromethyl)phenyl]-urea
SMILES [?]:
CCOc1ccsc1NC(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C14H13F3N2O2S/c1-2-21-11-6-7-22-12(11)19-13(20)18-10-5-3-4-9(8-10)14(15,16)17/h3-8H,2H2,1H3,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,15,16,14,5,6,18,17,13,4,8,10,19,20,21,22,12,9,11,3,7/E:(15,16,17)/rA:22nCCOCCCSCNCONCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13F3N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.66128
Area:495.55
Solvation:-3.72746
Coulombic:-60.879
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:330.327
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.5
LogP (Chemaxon):4.07

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Descriptor Annotations

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