Chemical ID: 5688224

Cc1c2cc(sc2n(n1)c3cccc(c3)Cl)C(=O)OCC(=O)C
Chemical ID:
5688224
Name [?]:
acetonyl 6-(3-chlorophenyl)-8-methyl-4-thia-6,7-diazabicyclo[3.3.0]octa-2,7,9-triene-3-carboxylate
SMILES [?]:
Cc1c2cc(sc2n(n1)c3cccc(c3)Cl)C(=O)OCC(=O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13ClN2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.6308
Area:558.375
Solvation:-4.32856
Coulombic:-31.3778
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.805
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.8
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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