Chemical ID: 4159250

CCCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OCCC
Chemical ID:
4159250
Name [?]:
butyl 2-[5-oxo-7-(4-propoxyphenyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
CCCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OCCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5978
Area:641.465
Solvation:-4.43884
Coulombic:-49.277
Bond Count [?]
All:30
Single:22
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.492
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.8
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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