Chemical ID: 5993833

CCOC(=O)C1=C(N(C(=S)NC1c2ccc(cc2)NC(=O)Nc3cccc(c3)Br)C)C
Chemical ID:
5993833
Name [?]:
ethyl 4-[4-[(3-bromophenyl)carbamoylamino]phenyl]-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=S)NC1c2ccc(cc2)NC(=O)Nc3cccc(c3)Br)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.6341
Area:661.22
Solvation:-2.89636
Coulombic:-73.8893
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:503.413
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.05
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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