ethyl 1-(N-ethyl-N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(N-ethyl-N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-4-carboxylate
ethyl 1-(N-ethyl-N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V022-5942 |
| Compound Name: | ethyl 1-(N-ethyl-N-{5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl}-beta-alanyl)piperidine-4-carboxylate |
| Molecular Weight: | 541.62 |
| Molecular Formula: | C28 H36 F N5 O5 |
| Salt: | not_available |
| Smiles: | CCN(CCC(N1CCC(CC1)C(=O)OCC)=O)C(c1cc2C(N(CCCn2n1)Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6784 |
| logD: | 1.6784 |
| logSw: | -2.1802 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.442 |
| InChI Key: | YTJLORMZMNYQKA-UHFFFAOYSA-N |