Chemical ID: 5997341

CCN1C(=C(C(NC1=S)c2cccc(c2)NC(=O)CSc3ccccc3)C(=O)OCC)C
Chemical ID:
5997341
Name [?]:
ethyl 1-ethyl-6-methyl-4-[3-(2-phenylsulfanylacetyl)aminophenyl]-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2cccc(c2)NC(=O)CSc3ccccc3)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27N3O3S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.3745
Area:685.111
Solvation:-3.75322
Coulombic:-60.7903
Bond Count [?]
All:34
Single:24
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:469.622
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.43
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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