7-amino-3-({[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
7-amino-3-({[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-amino-3-({[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-9331 |
| Compound Name: | 7-amino-3-({[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C17 H21 N7 O3 S2 |
| Smiles: | CCn1c(c2cnn(CC)c2)nnc1SCC1CSC2C(C(N2C=1C(O)=O)=O)N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -1.2679 |
| logD: | -1.2679 |
| logSw: | -0.8029 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.643 |
| InChI Key: | WXPMXCIAKWMRDU-UHFFFAOYSA-N |