Chemical ID: 4800998

CCOc1ccc(cc1)c2nnc3n2N=C(CS3)c4ccccc4Cl
Chemical ID:
4800998
Name [?]:
4-(2-chlorophenyl)-7-(4-ethoxyphenyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-triene
SMILES [?]:
CCOc1ccc(cc1)c2nnc3n2N=C(CS3)c4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15ClN4OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5016
Area:565.437
Solvation:-2.63435
Coulombic:-21.7598
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:370.857
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.98
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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