Chemical ID: 4312361

CC1=C(C(NC(=O)N1C)c2ccccc2I)C(=O)OCCOc3ccccc3
Chemical ID:
4312361
Name [?]:
2-phenoxyethyl 4-(2-iodophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccccc2I)C(=O)OCCOc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21IN2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.9218
Area:598.723
Solvation:-4.04625
Coulombic:-58.5999
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:492.307
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.85
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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