Chemical ID: 4445129

CCOC(=O)C1=C(N(C(=O)NC1c2ccc(cc2)[N+](=O)[O-])Cc3ccccc3)C
Chemical ID:
4445129
Name [?]:
ethyl 1-benzyl-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=O)NC1c2ccc(cc2)[N+](=O)[O-])Cc3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.77507
Area:582.112
Solvation:-7.77773
Coulombic:-63.5415
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.409
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.96
LogP (Chemaxon):2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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