Chemical ID: 5665016

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)C(C)(C)C)[O-]
Chemical ID:
5665016
Name [?]:
[1-(3-dimethylammoniopropyl)-4,5-dioxo-2-(4-tert-butylphenyl)-pyrrolidin-3-ylidene]-(4-propoxyphenyl)-methanolate
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)C(C)(C)C)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H38N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-40.6647
Area:696.2
Solvation:-58.0697
Coulombic:-11.7469
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:478.623
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.28
LogP (Chemaxon):1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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