Chemical ID: 6122483

CCOC(=O)c1c(snn1)NN=Cc2ccc(cc2)F
Chemical ID:
6122483
Name [?]:
ethyl 5-[(4-fluorophenyl)methyleneaminoamino]thiadiazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1c(snn1)NN=Cc2ccc(cc2)F
InChi [?]:
InChI=1/C12H11FN4O2S/c1-2-19-12(18)10-11(20-17-15-10)16-14-7-8-3-5-9(13)6-4-8/h3-7,16H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,19,16,18,13,14,17,6,7,4,20,12,10,11,9,5,3,8/E:(3,4)(5,6)/rA:20nCCOCOCCSNNNNCCCCCCCF/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s7;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11FN4O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.53224
Area:469.048
Solvation:-3.19396
Coulombic:-36.488
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:294.306
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.07
LogP (Chemaxon):2.81

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Descriptor Annotations

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