Chemical ID: 4893286

CC(C)(C)c1ccc(cc1)c2nnc3n2N=C(CS3)c4ccc(cc4)Cl
Chemical ID:
4893286
Name [?]:
4-(4-chlorophenyl)-7-(4-tert-butylphenyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-triene
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc3n2N=C(CS3)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19ClN4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.9866
Area:582.906
Solvation:-1.58603
Coulombic:-15.6914
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:382.911
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.46
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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