Chemical ID: 6429249

CC1=C(C(NC(=S)N1)c2ccc(c(c2)O)[N+](=O)[O-])C(=O)OC
Chemical ID:
6429249
Name [?]:
methyl 4-(3-hydroxy-4-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=S)N1)c2ccc(c(c2)O)[N+](=O)[O-])C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H13N3O5S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:3.47326
Area:484.645
Solvation:-8.64287
Coulombic:-70.0648
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:323.326
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.07
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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