N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Chemical Structure Depiction of
N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Compound characteristics
| Compound ID: | V008-5708 |
| Compound Name: | N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea |
| Molecular Weight: | 539.72 |
| Molecular Formula: | C29 H45 N7 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)CCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6914 |
| logD: | 0.4649 |
| logSw: | -3.6888 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.54 |
| InChI Key: | AIYJOJOHSGKEEK-UHFFFAOYSA-N |