Chemical ID: 4860126

CC(C)Oc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)Br
Chemical ID:
4860126
Name [?]:
4-(4-bromobenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-isopropoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29BrN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.5266
Area:717.847
Solvation:-5.41958
Coulombic:-56.0977
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:501.413
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.01
LogP (Chemaxon):0.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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