Chemical ID: 4386121

CCOc1ccc(cc1OC)C2C(=C(NC(=O)N2)c3ccccc3)C(=O)OCC
Chemical ID:
4386121
Name [?]:
ethyl 4-(4-ethoxy-3-methoxy-phenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(NC(=O)N2)c3ccccc3)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.06275
Area:603.178
Solvation:-6.01671
Coulombic:-69.1471
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.436
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.04
LogP (Chemaxon):1.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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