N-(2-{4-[6-(2-chlorophenyl)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-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V021-7340 |
| Compound Name: | N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 598.1 |
| Molecular Formula: | C33 H32 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(c2ccccc2[Cl])nn1)C(CN(CCc1ccccc1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6681 |
| logD: | 4.662 |
| logSw: | -4.8948 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.19 |
| InChI Key: | FFMWSQCPTIBBMQ-UHFFFAOYSA-N |