Chemical ID: 6886596

CCCCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OC
Chemical ID:
6886596
Name [?]:
pentyl 2-[7-(4-methoxyphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
CCCCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N2O4S
All Atoms:49
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8279
Area:617.167
Solvation:-4.60127
Coulombic:-48.8398
Bond Count [?]
All:29
Single:21
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.466
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.58
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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