Chemical ID: 4139142

c1cc(cc(c1)C(F)(F)F)c2ccc3c(c2)C(=O)N4CC(CC4C(=O)N3)O
Chemical ID:
4139142
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc3c(c2)C(=O)N4CC(CC4C(=O)N3)O
InChi [?]:
InChI=1/C19H15F3N2O3/c20-19(21,22)12-3-1-2-10(6-12)11-4-5-15-14(7-11)18(27)24-9-13(25)8-16(24)17(26)23-15/h1-7,13,16,25H,8-9H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,4,16,22,20,3,11,5,21,15,14,23,24,17,7,8,9,10,26,19,27,25,18/E:(20,21,22)/rA:27cCCCCCCCFFFCCCCCCCONCCCCCONO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s19s22;s23;d24;s14s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15F3N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:8.81908
Area:530.314
Solvation:-4.43877
Coulombic:-74.488
Bond Count [?]
All:30
Single:22
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:376.329
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.73
LogP (Chemaxon):3.14

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