Chemical ID: 5747757

Cc1c2cc(sc2n(n1)c3ccccc3)C(=O)OCC(=O)c4ccccc4
Chemical ID:
5747757
Name [?]:
phenacyl 8-methyl-6-phenyl-4-thia-6,7-diazabicyclo[3.3.0]octa-2,7,9-triene-3-carboxylate
SMILES [?]:
Cc1c2cc(sc2n(n1)c3ccccc3)C(=O)OCC(=O)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.875
Area:603.764
Solvation:-4.21908
Coulombic:-34.6722
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:376.429
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.86
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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