1-(azepane-1-carbonyl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Chemical Structure Depiction of
1-(azepane-1-carbonyl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
1-(azepane-1-carbonyl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Compound characteristics
| Compound ID: | C507-0036 |
| Compound Name: | 1-(azepane-1-carbonyl)-3-(3-chloro-4-methoxyphenyl)-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C25 H25 Cl N4 O3 |
| Smiles: | Cn1c2C(N(c3ccc(c(c3)[Cl])OC)N=C(C(N3CCCCCC3)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2463 |
| logD: | 4.2463 |
| logSw: | -4.8114 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.581 |
| InChI Key: | OPLYZEYXDMYOBH-UHFFFAOYSA-N |