Chemical ID: 3951098

c1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
3951098
Name [?]:
2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C17H13F3N2O3/c18-17(19,20)11-4-3-5-12(8-11)21-15(23)9-22-13-6-1-2-7-14(13)25-10-16(22)24/h1-8H,9-10H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,17,6,3,21,12,10,20,16,5,4,13,8,22,23,24,25,15,7,14,9,11/E:(18,19,20)/rA:25nCCCCCCNCOCOCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13F3N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.50227
Area:505.961
Solvation:-5.14676
Coulombic:-63.4906
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.292
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.46
LogP (Chemaxon):2.56

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