Chemical ID: 4111590

C=CCOC(=O)c1c(nc2n1CCS2)c3ccccc3
Chemical ID:
4111590
Name [?]:
allyl 7-phenyl-2-thia-5,8-diazabicyclo[3.3.0]octa-6,8-diene-6-carboxylate
SMILES [?]:
C=CCOC(=O)c1c(nc2n1CCS2)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H14N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.84101
Area:469.708
Solvation:-1.90171
Coulombic:-36.8353
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.35
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.57
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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