5-benzyl-N-[(5-bromo-2-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-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
5-benzyl-N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0280 |
| Compound Name: | 5-benzyl-N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 483.36 |
| Molecular Formula: | C23 H23 Br N4 O3 |
| Smiles: | COc1ccc(cc1CNC(c1cc2C(N(CCCn2n1)Cc1ccccc1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3861 |
| logD: | 3.386 |
| logSw: | -3.6053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.425 |
| InChI Key: | MPJGQJRLUNQIDD-UHFFFAOYSA-N |