Chemical ID: 6301956

Cc1c(c(sc1C(=O)OC(C)C)NC(=O)C(C)Oc2ccc(cc2)F)C(=O)OC(C)C
Chemical ID:
6301956
Name [?]:
diisopropyl 5-[2-(4-fluorophenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate
SMILES [?]:
Cc1c(c(sc1C(=O)OC(C)C)NC(=O)C(C)Oc2ccc(cc2)F)C(=O)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26FNO6S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.1785
Area:690.307
Solvation:-6.0792
Coulombic:-71.0685
Bond Count [?]
All:32
Single:24
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:451.509
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.51
LogP (Chemaxon):4.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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