Chemical ID: 6886593

CCCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OC
Chemical ID:
6886593
Name [?]:
butyl 2-[7-(4-methoxyphenyl)-5-oxo-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)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N2O4S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1118
Area:587.302
Solvation:-4.57078
Coulombic:-48.5375
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.439
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):3.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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