Chemical ID: 6147878

CCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)CCOc4ccccc4
Chemical ID:
6147878
Name [?]:
7-(4-ethoxyphenyl)-4-(2-phenoxyethyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CCOc1ccc(cc1)c2csc3c2c(=O)n(cn3)CCOc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7814
Area:605.886
Solvation:-4.36571
Coulombic:-38.916
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:392.472
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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