Chemical ID: 5170195

CC(=O)C1=C(C(=O)N(C1c2ccc(cc2)C(=O)OC)CCCOC)O
Chemical ID:
5170195
Name [?]:
methyl 4-[3-acetyl-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate
SMILES [?]:
CC(=O)C1=C(C(=O)N(C1c2ccc(cc2)C(=O)OC)CCCOC)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21NO6
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.52124
Area:570.759
Solvation:-6.74773
Coulombic:-67.4946
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:347.362
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.59
LogP (Chemaxon):0.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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