3-(3-chloro-4-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
3-(3-chloro-4-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Compound characteristics
| Compound ID: | C507-0080 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide |
| Molecular Weight: | 533.93 |
| Molecular Formula: | C26 H20 Cl N5 O6 |
| Smiles: | Cn1c2C(N(c3ccc(c(c3)[Cl])OC)N=C(C(Nc3cc(ccc3OC)[N+]([O-])=O)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3303 |
| logD: | 4.0979 |
| logSw: | -4.9372 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.007 |
| InChI Key: | KVFADWFAONVBNC-UHFFFAOYSA-N |