N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V009-4472 |
| Compound Name: | N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 593.68 |
| Molecular Formula: | C34 H35 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1ccc(nn1)N1CCCN(CC1)C(CN(CCc1ccccc1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3955 |
| logD: | 4.3917 |
| logSw: | -4.4229 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.734 |
| InChI Key: | ZBYUEOMLDNILQZ-UHFFFAOYSA-N |