Chemical ID: 5690170

CC[NH+](CC)CCCN1C(C(=C(c2ccc(cc2)OC(C)C)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OCC
Chemical ID:
5690170
Name [?]:
[1-(3-diethylammoniopropyl)-2-(4-ethoxy-3-methoxy-phenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isopropoxyphenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCCN1C(C(=C(c2ccc(cc2)OC(C)C)[O-])C(=O)C1=O)c3ccc(c(c3)OC)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H40N2O6
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:-38.2218
Area:753.941
Solvation:-57.0704
Coulombic:-26.8752
Bond Count [?]
All:40
Single:31
Double:9
Rotors:13
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:524.648
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.39
LogP (Chemaxon):-0.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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