Chemical ID: 5780624

CC=CCn1c2c(=O)[nH]c(=O)n(c2nc1Sc3nc4ccccc4s3)C
Chemical ID:
5780624
Name [?]:
8-benzothiazol-2-ylsulfanyl-7-but-2-enyl-3-methyl-purine-2,6-dione
SMILES [?]:
CC=CCn1c2c(=O)[nH]c(=O)n(c2nc1Sc3nc4ccccc4s3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15N5O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4825
Area:548.809
Solvation:-2.23777
Coulombic:-61.1117
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:385.466
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):5.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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