N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-[(3-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-(4-ethylpiperazin-1-yl)ethyl]-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2284 |
| Compound Name: | N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C23 H31 F N6 O2 |
| Smiles: | CCN1CCN(CCNC(c2cc3C(N(CCCn3n2)Cc2cccc(c2)F)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.9453 |
| logD: | 0.1527 |
| logSw: | -2.1024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.156 |
| InChI Key: | NNABRKBCQXUJAR-UHFFFAOYSA-N |