N-[2-(azepan-1-yl)ethyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-[2-(azepan-1-yl)ethyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | C880-0762 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(5-benzyl-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: | C1CCCN(CC1)CCNC(CN1C(c2c(C=N1)c1ccccc1n2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.366 |
| logD: | 1.8803 |
| logSw: | -3.3302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.698 |
| InChI Key: | PFJOOBGJGOGFOQ-UHFFFAOYSA-N |