N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Compound characteristics
| Compound ID: | V026-3015 |
| Compound Name: | N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea |
| Molecular Weight: | 496.65 |
| Molecular Formula: | C27 H40 N6 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2467 |
| logD: | 4.2429 |
| logSw: | -4.0224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.479 |
| InChI Key: | LXUBEHDSQQLPEI-FQEVSTJZSA-N |