methyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl](1-ethylpiperidin-4-yl)carbamamido}-4-chlorobenzoate
Chemical Structure Depiction of
methyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl](1-ethylpiperidin-4-yl)carbamamido}-4-chlorobenzoate
methyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl](1-ethylpiperidin-4-yl)carbamamido}-4-chlorobenzoate
Compound characteristics
| Compound ID: | E641-1484 |
| Compound Name: | methyl 2-{[(2H-1,3-benzodioxol-5-yl)methyl](1-ethylpiperidin-4-yl)carbamamido}-4-chlorobenzoate |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C24 H28 Cl N3 O5 |
| Smiles: | CCN1CCC(CC1)N(Cc1ccc2c(c1)OCO2)C(Nc1cc(ccc1C(=O)OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4043 |
| logD: | 2.4772 |
| logSw: | -4.4971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.372 |
| InChI Key: | DFRYLCMWNYBPSU-UHFFFAOYSA-N |