7-({5-[(4-bromophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Chemical Structure Depiction of
7-({5-[(4-bromophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-({5-[(4-bromophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y502-1899 |
| Compound Name: | 7-({5-[(4-bromophenoxy)methyl]furan-2-carbonyl}amino)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight: | 623.52 |
| Molecular Formula: | C23 H19 Br N4 O6 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2ccc(COc3ccc(cc3)[Br])o2)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3589 |
| logD: | -1.9028 |
| logSw: | -3.3816 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.187 |
| InChI Key: | CORSGIMRKGJABE-UHFFFAOYSA-N |