N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]urea
Chemical Structure Depiction of
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]urea
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | V009-1936 |
| Compound Name: | N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 558.68 |
| Molecular Formula: | C31 H38 N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC(N(CC1CCCO1)CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8481 |
| logD: | 3.8443 |
| logSw: | -3.9079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.116 |
| InChI Key: | QVIJPXUHGLFSFE-HHHXNRCGSA-N |