N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Compound characteristics
| Compound ID: | C507-0109 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide |
| Molecular Weight: | 522.05 |
| Molecular Formula: | C28 H32 Cl N5 O3 |
| Smiles: | Cn1c2C(N(c3ccc(c(c3)[Cl])OC)N=C(C(NCCCN3CCCCCC3)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9619 |
| logD: | 1.3912 |
| logSw: | -4.6644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.17 |
| InChI Key: | PKVJWEZXVXITEV-UHFFFAOYSA-N |