Chemical ID: 5993988

CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3cccc(c3)Br)C(=O)OCC)C
Chemical ID:
5993988
Name [?]:
ethyl 4-[4-[(3-bromophenyl)carbamoylamino]phenyl]-1-ethyl-6-methyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCN1C(=C(C(NC1=S)c2ccc(cc2)NC(=O)Nc3cccc(c3)Br)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25BrN4O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:14.1896
Area:683.054
Solvation:-2.88679
Coulombic:-74.1168
Bond Count [?]
All:34
Single:24
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:517.44
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.47
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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