Chemical ID: 5386806

COC(=O)c1cc(ccc1F)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
5386806
Name [?]:
methyl 5-[2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanylacetyl]amino-2-fluoro-benzoate
SMILES [?]:
COC(=O)c1cc(ccc1F)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H14ClFN2O3S2/c1-26-18(25)14-8-13(6-7-15(14)21)22-17(24)10-28-19-23-16(9-27-19)11-2-4-12(20)5-3-11/h2-9H,10H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,27,24,26,8,9,6,20,15,22,25,7,5,10,19,13,3,17,28,11,12,18,14,4,2,21,16/E:(2,3)(4,5)/rA:28nCOCOCCCCCCFNCOCSCNCCSCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s7;s12;d13;s13;s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14ClFN2O3S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1164
Area:652.774
Solvation:-5.20295
Coulombic:-49.182
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:436.909
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):5.01

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Descriptor Annotations

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