N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0870 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(6-ethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C26 H29 N3 O5 |
| Smiles: | CCc1ccc2c(c1)C(CN1CCN(CC1)CC(Nc1ccc3c(c1)OCCO3)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.5055 |
| logD: | 2.4442 |
| logSw: | -3.103 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.891 |
| InChI Key: | MOMKMLXIXFOICF-UHFFFAOYSA-N |