Chemical ID: 4420649

CCc1nc2c(c(c(s2)C)C)c(=O)n1CCO
Chemical ID:
4420649
Name [?]:
3-ethyl-4-(2-hydroxyethyl)-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CCc1nc2c(c(c(s2)C)C)c(=O)n1CCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H16N2O2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.16839
Area:416.514
Solvation:-2.24445
Coulombic:-38.8797
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.334
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.04
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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