Chemical ID: 5653534

Cc1cc(ccc1OC(C)C)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4cccnc4)[O-]
Chemical ID:
5653534
Name [?]:
(4-isopropoxy-3-methyl-phenyl)-[1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-methanolate
SMILES [?]:
Cc1cc(ccc1OC(C)C)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)c4cccnc4)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H33N3O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-42.0487
Area:701.068
Solvation:-59.5754
Coulombic:-19.5105
Bond Count [?]
All:38
Single:29
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:479.568
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.14
LogP (Chemaxon):-0.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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