N-(2-ethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(2-ethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1023 |
| Compound Name: | N-(2-ethylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | CCc1ccccc1NC(CN1CCN(CC1)CC1=CC(=O)Oc2cc(C)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6957 |
| logD: | 3.6833 |
| logSw: | -3.7902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.37 |
| InChI Key: | IQGCFXDSNCLLLQ-UHFFFAOYSA-N |