Chemical ID: 5481668

CCOC(=O)c1c(nc(s1)NC(=O)CSc2nc(cc(n2)c3ccccc3)C)C
Chemical ID:
5481668
Name [?]:
ethyl 4-methyl-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino-thiazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1c(nc(s1)NC(=O)CSc2nc(cc(n2)c3ccccc3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N4O3S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.9495
Area:678.396
Solvation:-4.01039
Coulombic:-57.2559
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:428.53
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.45
LogP (Chemaxon):3.33

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Experimental Annotations

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Descriptor Annotations

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