N-[(5-bromo-2-methoxyphenyl)methyl]-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-[(5-bromo-2-methoxyphenyl)methyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Compound characteristics
| Compound ID: | C507-0211 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide |
| Molecular Weight: | 581.85 |
| Molecular Formula: | C27 H22 Br Cl N4 O4 |
| Smiles: | Cn1c2C(N(c3ccc(c(c3)[Cl])OC)N=C(C(NCc3cc(ccc3OC)[Br])=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0568 |
| logD: | 5.0568 |
| logSw: | -5.5747 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.645 |
| InChI Key: | DBJDHUXKSQKNNO-UHFFFAOYSA-N |