Chemical ID: 3951270

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3ccccc3C(F)(F)F
Chemical ID:
3951270
Name [?]:
2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)Nc3ccccc3C(F)(F)F
InChi [?]:
InChI=1/C18H15F3N2O3/c1-11-6-7-15-14(8-11)23(17(25)10-26-15)9-16(24)22-13-5-3-2-4-12(13)18(19,20)21/h2-8H,9-10H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,3,4,7,13,11,2,22,17,6,5,14,9,23,24,25,26,16,8,15,10,12/E:(19,20,21)/rA:26nCCCCCCCNCOCOCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15F3N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.40919
Area:522.441
Solvation:-4.65182
Coulombic:-64.0152
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.319
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.89
LogP (Chemaxon):3.03

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