Chemical ID: 4155391

CCC(C(=O)OC(C)C)n1cnc2c(c1=O)cc(s2)c3ccccc3
Chemical ID:
4155391
Name [?]:
isopropyl 2-(5-oxo-8-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)butanoate
SMILES [?]:
CCC(C(=O)OC(C)C)n1cnc2c(c1=O)cc(s2)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.6687
Area:569.574
Solvation:-2.57068
Coulombic:-43.7638
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.44
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.19
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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