Chemical ID: 5743945

CCOC(=O)Cc1csc(n1)SCC(=O)Nc2cc(ccc2F)F
Chemical ID:
5743945
Name [?]:
ethyl 2-[2-[(2,5-difluorophenyl)carbamoylmethylsulfanyl]thiazol-4-yl]acetate
SMILES [?]:
CCOC(=O)Cc1csc(n1)SCC(=O)Nc2cc(ccc2F)F
InChi [?]:
InChI=1/C15H14F2N2O3S2/c1-2-22-14(21)6-10-7-23-15(18-10)24-8-13(20)19-12-5-9(16)3-4-11(12)17/h3-5,7H,2,6,8H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,18,6,8,13,19,7,22,17,14,4,10,24,23,11,16,15,5,3,9,12/rA:24nCCOCOCCCSCNSCCONCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14F2N2O3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.42462
Area:572.282
Solvation:-5.88243
Coulombic:-49.3268
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.412
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.26
LogP (Chemaxon):2.75

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Experimental Annotations

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Descriptor Annotations

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