Chemical ID: 5656458

Cc1cc(c(c(c1)Cl)NC(=O)CSc2nc(cc(n2)O)N)C
Chemical ID:
5656458
Name [?]:
2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-N-(2-chloro-4,6-dimethyl-phenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)Cl)NC(=O)CSc2nc(cc(n2)O)N)C
InChi [?]:
InChI=1/C14H15ClN4O2S/c1-7-3-8(2)13(9(15)4-7)18-12(21)6-22-14-17-10(16)5-11(20)19-14/h3-5H,6H2,1-2H3,(H,18,21)(H3,16,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,17,12,2,4,6,16,18,10,5,14,8,21,15,9,19,20,11,13/rA:22nCCCCCCCClNCOCSCNCCCNONC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN4O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.68072
Area:539.467
Solvation:-3.80595
Coulombic:-64.2462
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:338.813
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:2.55
LogP (Chemaxon):2.49

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