Chemical ID: 3967579

COC1(C2N(C1=O)C(=C(CO2)CSc3nnnn3CCO)C(=O)O)NC(=O)CSC(F)F
Chemical ID:
3967579
Name [?]:
8-[2-(difluoromethylsulfanyl)acetyl]amino-4-[[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylmethyl]-8-methoxy-7-oxo-2-oxa-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
SMILES [?]:
COC1(C2N(C1=O)C(=C(CO2)CSc3nnnn3CCO)C(=O)O)NC(=O)CSC(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H18F2N6O7S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:8.2213
Area:661.805
Solvation:-8.32383
Coulombic:-115.87
Bond Count [?]
All:34
Single:28
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:496.468
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:-2.08
LogP (Chemaxon):0.18

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Experimental Annotations

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Descriptor Annotations

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