Chemical ID: 6221410

CCN1CCc2c(sc(c2C(=O)OCC)NC(=O)C)C1
Chemical ID:
6221410
Name [?]:
ethyl 8-acetamido-4-ethyl-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
SMILES [?]:
CCN1CCc2c(sc(c2C(=O)OCC)NC(=O)C)C1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H20N2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.19817
Area:499.305
Solvation:-3.28446
Coulombic:-42.8723
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.386
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.97
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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