Chemical ID: 4696464

c1cc2c(cc1C(F)(F)F)NC(=O)C3N2CSC3
Chemical ID:
4696464
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(F)(F)F)NC(=O)C3N2CSC3
InChi [?]:
InChI=1/C11H9F3N2OS/c12-11(13,14)6-1-2-8-7(3-6)15-10(17)9-4-18-5-16(8)9/h1-3,9H,4-5H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,5,18,16,6,4,3,14,12,7,8,9,10,11,15,13,17/E:(12,13,14)/rA:18cCCCCCCCFFFNCOCNCSC/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s3s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9F3N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:6.72194
Area:390.475
Solvation:-3.03995
Coulombic:-46.4536
Bond Count [?]
All:20
Single:16
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:274.263
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.38
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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