Chemical ID: 5432844

CCOC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)OC)OCC#C)C(=O)N2
Chemical ID:
5432844
Name [?]:
ethyl 4-[4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3,5-dioxo-pyrazolidin-1-yl]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)OC)OCC#C)C(=O)N2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20N2O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.78378
Area:672.14
Solvation:-7.01972
Coulombic:-69.205
Bond Count [?]
All:33
Single:22
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:420.415
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.84
LogP (Chemaxon):2.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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