Chemical ID: 5282647

CN(C)CCNC=C1C(=O)N(C(=S)N(C1=O)c2ccc(cc2)Br)c3ccccc3
Chemical ID:
5282647
Name [?]:
1-(4-bromophenyl)-5-(2-dimethylaminoethylaminomethylene)-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione
SMILES [?]:
CN(C)CCNC=C1C(=O)N(C(=S)N(C1=O)c2ccc(cc2)Br)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2377
Area:642.215
Solvation:-2.81767
Coulombic:-52.4185
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:473.387
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):3.74

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Experimental Annotations

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Descriptor Annotations

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