N-[3-(azepan-1-yl)propyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
N-[3-(azepan-1-yl)propyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide
Compound characteristics
| Compound ID: | C880-0758 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(5-benzyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl)acetamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C28 H33 N5 O2 |
| Smiles: | C1CCCN(CC1)CCCNC(CN1C(c2c(C=N1)c1ccccc1n2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4891 |
| logD: | 0.8605 |
| logSw: | -3.5241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.698 |
| InChI Key: | JEKPVSVNZOQVFH-UHFFFAOYSA-N |