ethyl 1-[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]piperidine-4-carboxylate
ethyl 1-[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | L299-0448 |
| Compound Name: | ethyl 1-[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]piperidine-4-carboxylate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C23 H28 N4 O6 S |
| Smiles: | CCOC(C1CCN(CC1)S(c1cc(ccc1C)c1c(C)nn2C(CCC(Nc12)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3359 |
| logD: | 1.0508 |
| logSw: | -2.5366 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.878 |
| InChI Key: | RUBZKSHNPFYLNQ-UHFFFAOYSA-N |