2-(diethylamino)ethyl 4-{[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
2-(diethylamino)ethyl 4-{[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C507-0226 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-4,5-dihydro-3H-pyridazino[4,5-b]indole-1-carbonyl]amino}benzoate |
| Molecular Weight: | 602.09 |
| Molecular Formula: | C32 H32 Cl N5 O5 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(C1c2c3ccccc3n(C)c2C(N(c2ccc(c(c2)[Cl])OC)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4607 |
| logD: | 4.4923 |
| logSw: | -6.1936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.151 |
| InChI Key: | SSIWQYDGHCDJNT-UHFFFAOYSA-N |