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Chemical ID: 5327410
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
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Experimental Annotations
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Descriptor Annotations
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