6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0046 |
| Compound Name: | 6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 461.92 |
| Molecular Formula: | C21 H20 Cl N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(/C=C/c1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7257 |
| logD: | 2.7257 |
| logSw: | -3.5402 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.744 |
| InChI Key: | FFTPNJVVRDEHMQ-UHFFFAOYSA-N |