Chemical ID: 4808040

C=CCN1C2CS(=O)(=O)CC2SC1=NC(=O)CCC(=O)O
Chemical ID:
4808040
Name [?]:
4-[(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)amino]-4-oxo-butanoic acid
SMILES [?]:
C=CCN1C2CS(=O)(=O)CC2SC1=NC(=O)CCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H16N2O5S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:7.36398
Area:499.14
Solvation:-5.11451
Coulombic:-48.3831
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:332.398
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.18
LogP (Chemaxon):-0.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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