N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0566F |
| Compound Name: | N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C27 H29 N5 O2 |
| Smiles: | Cc1ccc(CN2CCCn3c(cc(C(NCCc4c[nH]c5ccc(C)cc45)=O)n3)C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6495 |
| logD: | 3.6495 |
| logSw: | -3.9152 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.507 |
| InChI Key: | SJAPEZXJYJTYFU-UHFFFAOYSA-N |