N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetamide
N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetamide
Compound characteristics
| Compound ID: | C880-2822 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-{5-[(3-chlorophenyl)methyl]-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indol-3-yl}acetamide |
| Molecular Weight: | 492.02 |
| Molecular Formula: | C27 H30 Cl N5 O2 |
| Smiles: | C1CCCN(CC1)CCNC(CN1C(c2c(C=N1)c1ccccc1n2Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0214 |
| logD: | 2.5358 |
| logSw: | -4.2305 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.698 |
| InChI Key: | PBSPKOHEJFIFNQ-UHFFFAOYSA-N |