Chemical ID: 5700125

CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)OC)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
Chemical ID:
5700125
Name [?]:
[4,5-dioxo-2-(3-propoxyphenyl)-1-(1H-pyridin-5-ylmethyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)-methanolate
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccc(cc3)OC)[O-])C(=O)C(=O)N2Cc4ccc[nH+]c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-42.98
Area:665.422
Solvation:-59.6156
Coulombic:-39.7187
Bond Count [?]
All:37
Single:25
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:458.506
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.62
LogP (Chemaxon):2.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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