N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(2-hydroxybutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(2-hydroxybutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(2-hydroxybutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | V018-9589 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(2-hydroxybutyl)piperazin-1-yl]methyl}-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C21 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | CCC(CN1CCN(CC1)Cc1nc(co1)C(NCc1ccc2c(c1)OCO2)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0113 |
| logD: | 0.6072 |
| logSw: | -2.2281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.337 |
| InChI Key: | AUSQSHKPAFQPIB-INIZCTEOSA-N |