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Chemical ID: 3967220
Chemical ID:
3967220
Name [?]:
7-[2-carboxy-2-(4-hydroxyphenyl)-acetyl]amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES [?]:
Cn1c(nnn1)SCC2=C(N3C(C(C3=O)(NC(=O)C(c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O
InChi [?]:
None
InChi Info:
None
Chemical Details
Atom Count
Formula: | C20H20N6O9S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.65755 |
Area: | 649.84 |
Solvation: | -8.58844 |
Coulombic: | -131.043 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 520.474 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 11 |
XLogP: | -0.89 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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