Chemical ID: 6582196

CCCc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C)O
Chemical ID:
6582196
Name [?]:
N-(4-acetamidophenyl)-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
CCCc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C)O
InChi [?]:
InChI=1/C17H20N4O3S/c1-3-4-14-9-15(23)21-17(20-14)25-10-16(24)19-13-7-5-12(6-8-13)18-11(2)22/h5-9H,3-4,10H2,1-2H3,(H,18,22)(H,19,24)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,17,19,16,20,5,11,22,18,15,4,6,12,8,21,14,9,7,23,25,13,10/E:(5,6)(7,8)/rA:25nCCCCCCNCNSCCONCCCCCCNCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N4O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0289
Area:600.707
Solvation:-4.98874
Coulombic:-66.0197
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:360.432
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.9
LogP (Chemaxon):2.94

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue