Chemical ID: 3847041

CCc1ccc(cc1)NC(=O)CSc2nc(cc(n2)O)N
Chemical ID:
3847041
Name [?]:
2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-N-(4-ethylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2nc(cc(n2)O)N
InChi [?]:
InChI=1/C14H16N4O2S/c1-2-9-3-5-10(6-4-9)16-13(20)8-21-14-17-11(15)7-12(19)18-14/h3-7H,2,8H2,1H3,(H,16,20)(H3,15,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,17,12,3,6,16,18,10,14,21,9,15,19,20,11,13/E:(3,4)(5,6)/rA:21nCCCCCCCCNCOCSCNCCCNON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.22136
Area:518.173
Solvation:-3.73296
Coulombic:-64.3791
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.369
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:2.17
LogP (Chemaxon):3.2

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