3-{2-[4-(but-2-ynoyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[4-(but-2-ynoyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[4-(but-2-ynoyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | T002-0248 |
| Compound Name: | 3-{2-[4-(but-2-ynoyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 327.34 |
| Molecular Formula: | C17 H17 N3 O4 |
| Smiles: | CC#CC(N1CCN(CC1)C(CN1C(=O)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8531 |
| logD: | 0.8531 |
| logSw: | -1.491 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.66 |
| InChI Key: | UBAAYILTDIJSQR-UHFFFAOYSA-N |