Chemical ID: 4159281

CCCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)CCCc4ccccc4
Chemical ID:
4159281
Name [?]:
4-(3-phenylpropyl)-7-(4-propoxyphenyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CCCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)CCCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H24N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6955
Area:648.718
Solvation:-3.52242
Coulombic:-32.553
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.526
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.97
LogP (Chemaxon):5.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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