N-(3-methylbutyl)-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
N-(3-methylbutyl)-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
Compound characteristics
| Compound ID: | IB05-4396 |
| Compound Name: | N-(3-methylbutyl)-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C23 H31 N3 O4 |
| Smiles: | CC(C)CCNC(COC1=COC(CN2CCN(CC2)c2ccccc2)=CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.07 |
| logD: | 2.06 |
| logSw: | -2.98 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.25 |
| InChI Key: | HORMVVINBOTKOS-UHFFFAOYSA-N |