1-(3-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-(2-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-(2-nitrophenyl)ethan-1-one
1-(3-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-(2-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | V009-4000 |
| Compound Name: | 1-(3-{4-[(4-methylphenyl)methyl]piperazine-1-carbonyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-(2-nitrophenyl)ethan-1-one |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C27 H30 N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2CCN(CC2)C(c2c3CN(CCc3[nH]n2)C(Cc2ccccc2[N+]([O-])=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7152 |
| logD: | 2.6633 |
| logSw: | -3.0784 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.323 |
| InChI Key: | RLSRJERSWGOKJR-UHFFFAOYSA-N |