N-(4-acetylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(4-acetylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1085 |
| Compound Name: | N-(4-acetylphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | CC(c1ccc(cc1)NC(CN1CCN(CC1)CC1=CC(=O)Oc2cc(C)ccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7382 |
| logD: | 2.7254 |
| logSw: | -3.1994 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.895 |
| InChI Key: | KPWWSZUABJZBGM-UHFFFAOYSA-N |