N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V027-9872 |
| Compound Name: | N-(2-{4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(propan-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 561.64 |
| Molecular Formula: | C30 H35 N5 O6 |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccc(c(c2)OC)OC)nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2697 |
| logD: | 3.1567 |
| logSw: | -3.3511 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.488 |
| InChI Key: | VZCOKJVXGGVUEL-UHFFFAOYSA-N |