Chemical ID: 5993730

CCN1C(=C(C(NC1=S)c2cccc(c2)NC(=O)C3CCCCC3)C(=O)OCC)C
Chemical ID:
5993730
Name [?]:
ethyl 4-(3-cyclohexylcarbonylaminophenyl)-1-ethyl-6-methyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2cccc(c2)NC(=O)C3CCCCC3)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H31N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.9339
Area:628.822
Solvation:-2.78661
Coulombic:-60.2011
Bond Count [?]
All:32
Single:25
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:429.577
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.38
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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