5-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
5-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0262 |
| Compound Name: | 5-benzyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | CCOc1cc(CNC(c2cc3C(N(CCCn3n2)Cc2ccccc2)=O)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2533 |
| logD: | 2.2533 |
| logSw: | -2.7831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.636 |
| InChI Key: | BABGAQMUGYSIPJ-UHFFFAOYSA-N |