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Chemical ID: 6698392
Chemical ID:
6698392
Name [?]:
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2[nH]c(=O)cc(n2)C
InChi [?]:
InChI=1/C14H15N3O2S/c1-9-3-5-11(6-4-9)16-13(19)8-20-14-15-10(2)7-12(18)17-14/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,4,6,17,11,2,18,5,15,9,13,19,8,14,16,10,12/E:(3,4)(5,6)/rA:20nCCCCCCCNCOCSCNCOCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;d15;s15;d17;d13s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96226 |
Area: | 493.462 |
Solvation: | -3.3743 |
Coulombic: | -45.6263 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.24 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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