N-(4-bromo-2-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(4-bromo-2-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1025 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 488.36 |
| Molecular Formula: | C23 H23 Br F N3 O3 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)CC(Nc3ccc(cc3F)[Br])=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8767 |
| logD: | 3.8506 |
| logSw: | -3.952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.37 |
| InChI Key: | MJPWADALKZQDHG-UHFFFAOYSA-N |