N-[2-(4-benzylpiperazin-1-yl)ethyl]-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-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide
Compound characteristics
| Compound ID: | C507-0222 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carboxamide |
| Molecular Weight: | 585.11 |
| Molecular Formula: | C32 H33 Cl N6 O3 |
| Smiles: | Cn1c2C(N(c3ccc(c(c3)[Cl])OC)N=C(C(NCCN3CCN(CC3)Cc3ccccc3)=O)c2c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6474 |
| logD: | 3.5088 |
| logSw: | -4.5055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.379 |
| InChI Key: | MFRJLMSIPWOYME-UHFFFAOYSA-N |