6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0429 |
| Compound Name: | 6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-3-(propan-2-yl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CC(C)N1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0998 |
| logD: | 3.0998 |
| logSw: | -3.6745 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.699 |
| InChI Key: | BOXPREUSWDPXOZ-UHFFFAOYSA-N |