Chemical ID: 5524558

c1cc(cc(c1)F)NC(=O)CSc2[nH]ccc(=O)n2
Chemical ID:
5524558
Name [?]:
N-(3-fluorophenyl)-2-[(4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)CSc2[nH]ccc(=O)n2
InChi [?]:
InChI=1/C12H10FN3O2S/c13-8-2-1-3-9(6-8)15-11(18)7-19-12-14-5-4-10(17)16-12/h1-6H,7H2,(H,15,18)(H,14,16,17)
InChi Info:
AuxInfo=1/1/N:1,6,2,16,15,4,11,5,3,17,9,13,7,14,8,19,18,10,12/rA:19nCCCCCCFNCOCSCNCCCON/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d13s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10FN3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.41072
Area:457.107
Solvation:-4.01695
Coulombic:-50.1054
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.291
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.37
LogP (Chemaxon):2.46

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