Chemical ID: 6926497

Cc1ccccc1NC(=O)c2c(c3c(cc(nc3s2)C(F)(F)F)C)N
Chemical ID:
6926497
Name [?]:
9-amino-2-methyl-N-(o-tolyl)-4-(trifluoromethyl)-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)c2c(c3c(cc(nc3s2)C(F)(F)F)C)N
InChi [?]:
InChI=1/C17H14F3N3OS/c1-8-5-3-4-6-10(8)22-15(24)14-13(21)12-9(2)7-11(17(18,19)20)23-16(12)25-14/h3-7H,21H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,4,5,3,6,15,2,14,7,16,13,12,11,9,18,20,21,22,23,25,8,17,10,19/E:(18,19,20)/rA:25nCCCCCCCNCOCCCCCCNCSCFFFCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s16;s20;s20;s20;s14;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F3N3OS
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4327
Area:519.746
Solvation:-2.56089
Coulombic:-64.0338
Bond Count [?]
All:27
Single:19
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:365.374
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.81
LogP (Chemaxon):4.45

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Descriptor Annotations

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