Chemical ID: 4477701

c1cc(cc(c1)F)NC(=O)C(=O)NCc2cccs2
Chemical ID:
4477701
Name [?]:
N-(3-fluorophenyl)-N'-(2-thienylmethyl)oxamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)C(=O)NCc2cccs2
InChi [?]:
InChI=1/C13H11FN2O2S/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,17,6,2,16,18,4,14,5,3,15,11,9,7,13,8,12,10,19/rA:19nCCCCCCFNCOCONCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11FN2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.90809
Area:469.278
Solvation:-2.82386
Coulombic:-51.1329
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.303
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.39
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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