N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V009-5365 |
| Compound Name: | N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C27 H40 F N7 O2 |
| Salt: | not_available |
| Smiles: | CCN(CC)CCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)F)nn1)=O)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2903 |
| logD: | 0.0638 |
| logSw: | -3.4824 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.146 |
| InChI Key: | MJASIUUWWBCDKS-UHFFFAOYSA-N |