Chemical ID: 4969740

CCOc1ccc(cc1)c2c(n3ccsc3n2)C=O
Chemical ID:
4969740
Name [?]:
7-(4-ethoxyphenyl)-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene-8-carbaldehyde
SMILES [?]:
CCOc1ccc(cc1)c2c(n3ccsc3n2)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.64927
Area:455.402
Solvation:-3.73578
Coulombic:-26.9248
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.3
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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