6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0084 |
| Compound Name: | 6-{4-[(4-bromophenyl)acetyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 494.36 |
| Molecular Formula: | C20 H20 Br N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(Cc1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6117 |
| logD: | 2.6117 |
| logSw: | -3.1344 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.744 |
| InChI Key: | GAXACOWRZOHNIW-UHFFFAOYSA-N |