Chemical ID: 4337307

Cc1cccc(c1)N2C(=O)C(=Cc3cc(c(c(c3)Br)O)[N+](=O)[O-])C(=O)NC2=O
Chemical ID:
4337307
Name [?]:
5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=Cc3cc(c(c(c3)Br)O)[N+](=O)[O-])C(=O)NC2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H12BrN3O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:3.97669
Area:567.97
Solvation:-10.2226
Coulombic:-73.8464
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:446.208
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:3.64
LogP (Chemaxon):3.55

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Descriptor Annotations

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