N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]urea
Chemical Structure Depiction of
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]urea
N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]urea
Compound characteristics
| Compound ID: | V030-4905 |
| Compound Name: | N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[2-(morpholin-4-yl)ethyl]urea |
| Molecular Weight: | 575.69 |
| Molecular Formula: | C31 H38 F N7 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC(N(CCN1CCOCC1)CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3513 |
| logD: | 2.9948 |
| logSw: | -3.3915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.787 |
| InChI Key: | QHXVRQUINZSQSA-UHFFFAOYSA-N |