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Chemical ID: 6293824
Chemical ID:
6293824
Name [?]:
2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CSc2nc(cc(n2)c3ccccc3)C
InChi [?]:
InChI=1/C20H19N3OS/c1-14-8-6-7-11-17(14)22-19(24)13-25-20-21-15(2)12-18(23-20)16-9-4-3-5-10-16/h3-12H,13H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,22,21,23,4,5,3,20,24,6,16,11,2,15,19,7,17,9,13,14,8,18,10,12/E:(4,5)(9,10)/rA:25nCCCCCCCNCOCSCNCCCNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s21;d22;d19s23;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.42 |
Area: | 579.77 |
Solvation: | -3.07428 |
Coulombic: | -33.5584 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.6 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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