5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
Chemical Structure Depiction of
5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
Compound characteristics
| Compound ID: | S553-0038 |
| Compound Name: | 5-{2-[methyl(phenyl)amino]-2-oxoethyl}-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C17 H18 N4 O4 |
| Smiles: | CN(C(CN1CCCn2c(cc(C(O)=O)n2)C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | -0.1455 |
| logD: | -3.5112 |
| logSw: | -1.338 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.903 |
| InChI Key: | JFJFOHUPDXVMDK-UHFFFAOYSA-N |