ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
Chemical Structure Depiction of
ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | S553-0035 |
| Compound Name: | ethyl 4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 223.23 |
| Molecular Formula: | C10 H13 N3 O3 |
| Smiles: | CCOC(c1cc2C(NCCCn2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0599 |
| logD: | 0.0599 |
| logSw: | -1.2495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.789 |
| InChI Key: | VXXLFPXJBMIPSZ-UHFFFAOYSA-N |