Chemical ID: 5655311

Cc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OCc4ccccc4)[O-])C(=O)C(=O)N2CC[NH+](C)C
Chemical ID:
5655311
Name [?]:
(4-benzyloxy-3-methyl-phenyl)-[1-(2-dimethylammonioethyl)-4,5-dioxo-2-(p-tolyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
Cc1ccc(cc1)C2C(=C(c3ccc(c(c3)C)OCc4ccccc4)[O-])C(=O)C(=O)N2CC[NH+](C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H32N2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:-39.8048
Area:738.124
Solvation:-58.2579
Coulombic:-11.7973
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:484.586
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.7
LogP (Chemaxon):1.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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