Chemical ID: 4208036

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)F)c3cccc(c3)Br
Chemical ID:
4208036
Name [?]:
5-(3-bromophenyl)-1-(3-dimethylaminopropyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)F)c3cccc(c3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22BrFN2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.4582
Area:623.181
Solvation:-5.12132
Coulombic:-52.1295
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:461.324
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.37
LogP (Chemaxon):0.26

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Experimental Annotations

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Descriptor Annotations

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