N-tert-butyl-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-tert-butyl-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-0635 |
| Compound Name: | N-tert-butyl-2-{4-[(6-ethoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C22 H31 N3 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)CC(NC(C)(C)C)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.4976 |
| logD: | 2.4888 |
| logSw: | -3.1032 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.609 |
| InChI Key: | CWEBXGYZIMRIBG-UHFFFAOYSA-N |