N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | E717-0625 |
| Compound Name: | N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-2-(4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide |
| Molecular Weight: | 457.58 |
| Molecular Formula: | C27 H31 N5 O2 |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNC(CN2C(c3c(C=N2)c2ccccc2[nH]3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5625 |
| logD: | 1.2852 |
| logSw: | -3.8696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.644 |
| InChI Key: | WFHOBLZQTNMALR-UHFFFAOYSA-N |