N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-1-benzopyran-3-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G669-1292 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 456.38 |
| Molecular Formula: | C23 H26 Br N3 O2 |
| Smiles: | C(CN1CCN(CC1)Cc1ccccc1)NC(C1COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4396 |
| logD: | 2.7709 |
| logSw: | -3.5667 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.386 |
| InChI Key: | XNYJDMBSZRKMQA-UHFFFAOYSA-N |