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Chemical ID: 5743945
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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