Chemical ID: 5708318

COc1ccc(cc1OC)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4ccc(c(c4)Cl)Cl)[O-]
Chemical ID:
5708318
Name [?]:
[2-(3,4-dichlorophenyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(3,4-dimethoxyphenyl)-methanolate
SMILES [?]:
COc1ccc(cc1OC)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)c4ccc(c(c4)Cl)Cl)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H26Cl2N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:-41.7466
Area:684.165
Solvation:-58.8507
Coulombic:-24.4525
Bond Count [?]
All:38
Single:29
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:521.389
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.81
LogP (Chemaxon):0.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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