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Chemical ID: 5524558
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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