Chemical ID: 4402096

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCCOC)O
Chemical ID:
4402096
Name [?]:
5-(3,4-dichlorophenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCCOC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21Cl2NO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.2933
Area:666.102
Solvation:-5.35924
Coulombic:-52.2276
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:434.312
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.05
LogP (Chemaxon):3.62

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Experimental Annotations

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Descriptor Annotations

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