Chemical ID: 5671258

CN(C)c1ccc(cc1)C2C(=C(c3ccc(cc3)OC)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
Chemical ID:
5671258
Name [?]:
[2-(4-dimethylaminophenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxyphenyl)-methanolate
SMILES [?]:
CN(C)c1ccc(cc1)C2C(=C(c3ccc(cc3)OC)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H31N3O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-41.4498
Area:687.442
Solvation:-58.6359
Coulombic:-21.9618
Bond Count [?]
All:37
Single:28
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:465.542
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.13
LogP (Chemaxon):0.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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