3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0131 |
| Compound Name: | 3-methyl-6-[4-(3-phenylprop-2-enoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1994 |
| logD: | 2.1994 |
| logSw: | -2.9911 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.744 |
| InChI Key: | DUFZOMWVQFVZLE-UHFFFAOYSA-N |