Chemical ID: 4629744

Cc1c(=O)nc2n(n1)c(=O)c(=Cc3ccc(c(c3)OC)OCCC(C)C)s2
Chemical ID:
4629744
Name [?]:
8-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-4-methyl-9-thia-2,5,6-triazabicyclo[4.3.0]nona-1,4-diene-3,7-dione
SMILES [?]:
Cc1c(=O)nc2n(n1)c(=O)c(=Cc3ccc(c(c3)OC)OCCC(C)C)s2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21N3O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.35101
Area:606.284
Solvation:-5.80609
Coulombic:-47.513
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:387.454
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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