Chemical ID: 6602714

Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C)O
Chemical ID:
6602714
Name [?]:
N-(4-acetamidophenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C)O
InChi [?]:
InChI=1/C15H16N4O3S/c1-9-7-13(21)19-15(16-9)23-8-14(22)18-12-5-3-11(4-6-12)17-10(2)20/h3-7H,8H2,1-2H3,(H,17,20)(H,18,22)(H,16,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,15,17,14,18,3,9,2,20,16,13,4,10,6,7,19,12,5,21,23,11,8/E:(3,4)(5,6)/rA:23nCCCCNCNSCCONCCCCCCNCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N4O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.68941
Area:549.139
Solvation:-5.03906
Coulombic:-65.227
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.379
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.08
LogP (Chemaxon):1.92

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Descriptor Annotations

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