Chemical ID: 5690760

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)c3cccc(c3)Br)[O-]
Chemical ID:
5690760
Name [?]:
[2-(3-bromophenyl)-1-(2-dimethylammonioethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-propoxyphenyl)-methanolate
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CC[NH+](C)C)c3cccc(c3)Br)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27BrN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-40.4656
Area:632.866
Solvation:-56.2873
Coulombic:-11.9679
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:487.386
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.9
LogP (Chemaxon):0.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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