Chemical ID: 5510455

Cc1cc(c(c(c1)C)NC(=O)CSc2nc(cc(n2)c3ccccc3)c4ccccc4)C
Chemical ID:
5510455
Name [?]:
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CSc2nc(cc(n2)c3ccccc3)c4ccccc4)C
InChi [?]:
InChI=1/C27H25N3OS/c1-18-14-19(2)26(20(3)15-18)30-25(31)17-32-27-28-23(21-10-6-4-7-11-21)16-24(29-27)22-12-8-5-9-13-22/h4-16H,17H2,1-3H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,8,32,23,29,22,24,28,30,21,25,27,31,7,3,17,12,2,6,4,20,26,18,16,10,5,14,19,15,9,11,13/E:(2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(19,20)(21,22)(23,24)(28,29)/rA:32nCCCCCCCCNCOCSCNCCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s22;d23;d20s24;s16;s26;d27;s28;d29;d26s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25N3OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.9813
Area:694.652
Solvation:-3.38501
Coulombic:-35.2416
Bond Count [?]
All:35
Single:22
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:439.573
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.98
LogP (Chemaxon):6.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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