N-(3-chloro-2-methylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3-chloro-2-methylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1004 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C24 H26 Cl N3 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)CC(Nc3cccc(c3C)[Cl])=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0035 |
| logD: | 3.9907 |
| logSw: | -4.3246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.37 |
| InChI Key: | XGOZMZSQLYFYJG-UHFFFAOYSA-N |