2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)acetamide
Chemical Structure Depiction of
2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)acetamide
2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)acetamide
Compound characteristics
| Compound ID: | E902-0180 |
| Compound Name: | 2-(8-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)acetamide |
| Molecular Weight: | 457.58 |
| Molecular Formula: | C27 H31 N5 O2 |
| Smiles: | Cc1cccc(CN2CCC(CC2)CNC(CN2C(c3c(C=N2)c2cc(C)ccc2[nH]3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4778 |
| logD: | 0.9854 |
| logSw: | -3.6622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.644 |
| InChI Key: | QRCKCUJMPYGNBO-UHFFFAOYSA-N |