7-[(4-chloro-1-methyl-1H-pyrazole-5-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-[(4-chloro-1-methyl-1H-pyrazole-5-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-[(4-chloro-1-methyl-1H-pyrazole-5-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: | D052-0121 |
| Compound Name: | 7-[(4-chloro-1-methyl-1H-pyrazole-5-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: | 486.98 |
| Molecular Formula: | C16 H15 Cl N6 O4 S3 |
| Smiles: | Cc1nnc(SCC2CSC3C(C(N3C=2C(O)=O)=O)NC(c2c(cnn2C)[Cl])=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4251 |
| logD: | -4.8366 |
| logSw: | -2.4218 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.633 |
| InChI Key: | ICNVDZSUZUOYKK-UHFFFAOYSA-N |