Chemical ID: 5282758

CC(C)c1ccc(cc1)C=C2C(=N)N3C(=NC2=O)SC(=N3)c4cccnc4
Chemical ID:
5282758
Name [?]:
2-imino-3-[(4-isopropylphenyl)methylene]-8-(3-pyridyl)-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=N)N3C(=NC2=O)SC(=N3)c4cccnc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17N5OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.8329
Area:582.055
Solvation:-2.71848
Coulombic:-40.9636
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:375.448
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.14
LogP (Chemaxon):4.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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