Chemical ID: 6041921

c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3cccc(c3)C(F)(F)F
Chemical ID:
6041921
Name [?]:
4-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C20H19F3N2O3/c21-20(22,23)15-6-3-5-14(11-15)12-24-18(26)9-4-10-25-16-7-1-2-8-17(16)28-13-19(25)27/h1-3,5-8,11H,4,9-10,12-13H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,21,13,20,22,6,3,14,12,24,18,10,19,23,5,4,15,8,25,26,27,28,17,7,16,9,11/E:(21,22,23)/rA:28nCCCCCCNCOCOCCCCONCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19F3N2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1299
Area:599.13
Solvation:-4.84831
Coulombic:-64.8418
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.372
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.12
LogP (Chemaxon):2.61

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