Chemical ID: 7160210

Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCC3)C#N)C(F)F
Chemical ID:
7160210
Name [?]:
N-(8-cyano-6-thiabicyclo[3.3.0]octa-7,9-dien-7-yl)-2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-acetamide
SMILES [?]:
Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCC3)C#N)C(F)F
InChi [?]:
InChI=1/C15H14F2N4OS/c1-8-5-11(14(16)17)20-21(8)7-13(22)19-15-10(6-18)9-3-2-4-12(9)23-15/h5,14H,2-4,7H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,3,19,7,2,13,12,4,14,8,21,11,22,23,20,10,5,6,9,15/E:(16,17)/rA:23nCCCCNNCCONCCCCSCCCCNCFF/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s13s17;s12;t19;s4;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14F2N4OS
All Atoms:37
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.64281
Area:524.66
Solvation:-5.4737
Coulombic:-35.9889
Bond Count [?]
All:25
Single:19
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.361
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.39
LogP (Chemaxon):1.71

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Descriptor Annotations

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