Chemical ID: 5671547

CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC(C)C)[O-])C(=O)C1=O)c3ccc(cc3)N(=O)=O
Chemical ID:
5671547
Name [?]:
[1-(2-diethylammonioethyl)-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isopropoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC(C)C)[O-])C(=O)C1=O)c3ccc(cc3)N(=O)=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H33N3O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:-42.9128
Area:700.383
Solvation:-60.4224
Coulombic:-22.4764
Bond Count [?]
All:38
Single:27
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:495.568
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:4.17
LogP (Chemaxon):0.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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