Chemical ID: 5993334

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)c3cc(cc(c3)Cl)Cl)C(=O)OCC)C
Chemical ID:
5993334
Name [?]:
ethyl 4-[4-(3,5-dichlorobenzoyl)aminophenyl]-1-ethyl-6-methyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)c3cc(cc(c3)Cl)Cl)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H23Cl2N3O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:14.7861
Area:708.129
Solvation:-2.91709
Coulombic:-61.5836
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:492.419
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.43
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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