Chemical ID: 5687732

CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OCC(C)C)[O-])C(=O)C1=O)c3cccc(c3)N(=O)=O
Chemical ID:
5687732
Name [?]:
[1-(2-diethylammonioethyl)-2-(3-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isobutoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OCC(C)C)[O-])C(=O)C1=O)c3cccc(c3)N(=O)=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H35N3O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:-42.972
Area:711.735
Solvation:-60.7654
Coulombic:-22.5141
Bond Count [?]
All:39
Single:28
Double:11
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:509.594
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:4.36
LogP (Chemaxon):1.07

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Descriptor Annotations

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