Chemical ID: 4731309

CCOC(=O)CSc1c2c(c(s1)C(=O)OCC)CCCC2=O
Chemical ID:
4731309
Name [?]:
ethyl 9-(ethoxycarbonylmethylsulfanyl)-2-oxo-8-thiabicyclo[4.3.0]nona-6,9-diene-7-carboxylate
SMILES [?]:
CCOC(=O)CSc1c2c(c(s1)C(=O)OCC)CCCC2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H18O5S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.45712
Area:546.038
Solvation:-4.19382
Coulombic:-45.1682
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:342.432
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.34
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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