Chemical ID: 5327410

CSc1cc2c(cc1C(F)(F)F)N(CC2)C(=O)Nc3cccnc3
Chemical ID:
5327410
Name [?]:
5-methylsulfanyl-N,N-bis[5-methylsulfanyl-6-(trifluoromethyl)indolin-7a-yl]-6-(trifluoromethyl)indoline-1-carboxamide
SMILES [?]:
CSc1cc2c(cc1C(F)(F)F)N(CC2)C(=O)Nc3cccnc3
InChi [?]:
InChI=1/C16H14F3N3OS/c1-24-14-7-10-4-6-22(13(10)8-12(14)16(17,18)19)15(23)21-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,15,22,14,4,7,24,5,19,8,6,3,16,9,10,11,12,23,18,13,17,2/E:(17,18,19)/rA:24nCSCCCCCCCFFFNCCCONCCCCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s9;s9;s6;s13;s5s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14F3N3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.04591
Area:502.932
Solvation:-3.5274
Coulombic:-52.5768
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.363
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.88
LogP (Chemaxon):3.48

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue