Chemical ID: 6876909

Cc1c2c(ncn(c2=O)CC#N)sc1C(=O)OC(C)C
Chemical ID:
6876909
Name [?]:
isopropyl 3-(cyanomethyl)-9-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-triene-8-carboxylate
SMILES [?]:
Cc1c2c(ncn(c2=O)CC#N)sc1C(=O)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H13N3O3S
All Atoms:33
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.75866
Area:480.681
Solvation:-3.25837
Coulombic:-43.3906
Bond Count [?]
All:21
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.23
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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