N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V008-6528 |
| Compound Name: | N-benzyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea |
| Molecular Weight: | 521.06 |
| Molecular Formula: | C28 H33 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.196 |
| logD: | 4.1899 |
| logSw: | -4.4131 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.485 |
| InChI Key: | ADCNZCULQLTUBT-UHFFFAOYSA-N |