7-[2-methyl-3-(5-methyl-3-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-[2-methyl-3-(5-methyl-3-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-[2-methyl-3-(5-methyl-3-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: | D052-0011 |
| Compound Name: | 7-[2-methyl-3-(5-methyl-3-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: | 539.61 |
| Molecular Formula: | C19 H21 N7 O6 S3 |
| Smiles: | CC(Cn1c(C)cc(n1)[N+]([O-])=O)C(NC1C2N(C(=C(CS2)CSc2nnc(C)s2)C(O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0446 |
| logD: | -5.3063 |
| logSw: | -1.9379 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.163 |
| InChI Key: | NVELSXNLMYTSRG-UHFFFAOYSA-N |