Chemical ID: 6337859

CCOC(=O)C(=Cc1c[nH]nc1c2ccc(c(c2)OC)OC)C#N
Chemical ID:
6337859
Name [?]:
ethyl 2-cyano-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-prop-2-enoate
SMILES [?]:
CCOC(=O)C(=Cc1c[nH]nc1c2ccc(c(c2)OC)OC)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H17N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.03908
Area:548.858
Solvation:-6.68238
Coulombic:-45.265
Bond Count [?]
All:25
Single:17
Double:7
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:327.335
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.98
LogP (Chemaxon):2.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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