N-(butan-2-yl)-N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
N-(butan-2-yl)-N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Compound characteristics
| Compound ID: | V027-5436 |
| Compound Name: | N-(butan-2-yl)-N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C25 H36 N6 O2 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.783 |
| logD: | 3.7498 |
| logSw: | -3.789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.737 |
| InChI Key: | UQBFVAGKFRFMCF-FQEVSTJZSA-N |