Chemical ID: 5932924

CCCCN1C(=C(C(NC1=O)c2cccc(c2)N)C(=O)OCC)c3ccccc3
Chemical ID:
5932924
Name [?]:
ethyl 4-(3-aminophenyl)-1-butyl-2-oxo-6-phenyl-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCCCN1C(=C(C(NC1=O)c2cccc(c2)N)C(=O)OCC)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.0288
Area:589.385
Solvation:-2.7058
Coulombic:-68.8602
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.479
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.73
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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