7-[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanamido]-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-[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanamido]-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-[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanamido]-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: | D052-0109 |
| Compound Name: | 7-[3-(5-methyl-4-nitro-1H-pyrazol-1-yl)propanamido]-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: | 525.58 |
| Molecular Formula: | C18 H19 N7 O6 S3 |
| Smiles: | Cc1c(cnn1CCC(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1052 |
| logD: | -5.3669 |
| logSw: | -1.8268 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.163 |
| InChI Key: | IPGPRUWPDGIQSK-UHFFFAOYSA-N |