Chemical ID: 4326718

CC1=C(C(NC(=S)N1)c2ccc(cc2)Br)C(=O)OCCOC
Chemical ID:
4326718
Name [?]:
2-methoxyethyl 4-(4-bromophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=S)N1)c2ccc(cc2)Br)C(=O)OCCOC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H17BrN2O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.76159
Area:520.717
Solvation:-3.25633
Coulombic:-52.1955
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.277
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.67
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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