N-[2-(adamantan-1-yl)ethyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(adamantan-1-yl)ethyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[2-(adamantan-1-yl)ethyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-0899 |
| Compound Name: | N-[2-(adamantan-1-yl)ethyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C27 H33 F N4 O2 |
| Smiles: | C1CN(Cc2ccc(cc2)F)C(c2cc(C(NCCC34CC5CC(CC(C5)C4)C3)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1655 |
| logD: | 4.1655 |
| logSw: | -4.1625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.67 |
| InChI Key: | FEFYFFGPHRWHPQ-UHFFFAOYSA-N |