Chemical ID: 6293824

Cc1ccccc1NC(=O)CSc2nc(cc(n2)c3ccccc3)C
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

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Descriptor Annotations

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