N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2606 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 497.39 |
| Molecular Formula: | C24 H25 Br N4 O3 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCc4cc(ccc4OC)[Br])=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0327 |
| logD: | 4.0326 |
| logSw: | -4.0832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.425 |
| InChI Key: | HZMLRYJUMGEYER-UHFFFAOYSA-N |