4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide
4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V027-9836 |
| Compound Name: | 4-chloro-N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)benzamide |
| Molecular Weight: | 552.07 |
| Molecular Formula: | C29 H34 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.026 |
| logD: | 3.913 |
| logSw: | -4.5147 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.373 |
| InChI Key: | NARPGTBTQIPQTE-UHFFFAOYSA-N |