N-[(4-butoxyphenyl)methyl]-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-[(4-butoxyphenyl)methyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[(4-butoxyphenyl)methyl]-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: | G542-0989 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-5-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C26 H29 F N4 O3 |
| Smiles: | CCCCOc1ccc(CNC(c2cc3C(N(CCCn3n2)Cc2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9541 |
| logD: | 3.9541 |
| logSw: | -3.8103 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.213 |
| InChI Key: | FLJYIJRWIBSIME-UHFFFAOYSA-N |