Chemical ID: 4172028

CCOC(=O)CSc1cn2c(n1)CCC2
Chemical ID:
4172028
Name [?]:
ethyl 2-(1,6-diazabicyclo[3.3.0]octa-5,7-dien-7-ylsulfanyl)acetate
SMILES [?]:
CCOC(=O)CSc1cn2c(n1)CCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H14N2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.0506
Area:418.005
Solvation:-2.39953
Coulombic:-29.1283
Bond Count [?]
All:16
Single:13
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:226.296
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.41
LogP (Chemaxon):1.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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