Chemical ID: 4890062

COc1ccc(cc1)c2nnc3n2N=C(CS3)c4ccc5ccccc5c4
Chemical ID:
4890062
Name [?]:
7-(4-methoxyphenyl)-4-(2-naphthyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-triene
SMILES [?]:
COc1ccc(cc1)c2nnc3n2N=C(CS3)c4ccc5ccccc5c4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9385
Area:562.988
Solvation:-3.13617
Coulombic:-21.7475
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:372.444
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.2
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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