Chemical ID: 4886407

CC(C)(C)c1ccc(cc1)c2nnc3n2N=C(CS3)c4ccc(cc4)OC
Chemical ID:
4886407
Name [?]:
4-(4-methoxyphenyl)-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)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7062
Area:584.972
Solvation:-2.91814
Coulombic:-21.813
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.492
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.75
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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