Chemical ID: 4159247

CCCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)OC4CCCCC4
Chemical ID:
4159247
Name [?]:
cyclohexyl 2-[5-oxo-7-(4-propoxyphenyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
CCCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)CC(=O)OC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.0658
Area:656.295
Solvation:-4.34159
Coulombic:-49.598
Bond Count [?]
All:33
Single:25
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:426.53
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):4.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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