Chemical ID: 6141105

COc1ccc(c(c1)N2C3CS(=O)(=O)CC3N(C2=S)c4ccccc4)OC
Chemical ID:
6141105
Name [?]:
8-(2,5-dimethoxyphenyl)-3,3-dioxo-6-phenyl-3$l^{6}-thia-6,8-diazabicyclo[3.3.0]octane-7-thione
SMILES [?]:
COc1ccc(c(c1)N2C3CS(=O)(=O)CC3N(C2=S)c4ccccc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N2O4S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:8.73955
Area:571.236
Solvation:-5.54136
Coulombic:-31.0728
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:404.505
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.86
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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