Chemical ID: 5842542

c1ccc(cc1)CN(CCO)C2=NS(=O)(=O)c3c2cccc3
Chemical ID:
5842542
Name [?]:
2-[benzyl-(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)-amino]ethanol
SMILES [?]:
c1ccc(cc1)CN(CCO)C2=NS(=O)(=O)c3c2cccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H16N2O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.60397
Area:471.724
Solvation:-3.18913
Coulombic:-32.365
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.376
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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