Chemical ID: 5718611

CC(C)c1ccccc1NC(=O)CSc2nc(cc(n2)O)N
Chemical ID:
5718611
Name [?]:
2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)CSc2nc(cc(n2)O)N
InChi [?]:
InChI=1/C15H18N4O2S/c1-9(2)10-5-3-4-6-11(10)17-14(21)8-22-15-18-12(16)7-13(20)19-15/h3-7,9H,8H2,1-2H3,(H,17,21)(H3,16,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,8,18,13,2,4,9,17,19,11,15,22,10,16,20,21,12,14/E:(1,2)/rA:22nCCCCCCCCCNCOCSCNCCCNON/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N4O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.68898
Area:533.684
Solvation:-3.65312
Coulombic:-64.8618
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.395
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:2.46
LogP (Chemaxon):2.88

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