3-methyl-6-[4-(2-phenoxypropanoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[4-(2-phenoxypropanoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[4-(2-phenoxypropanoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0097 |
| Compound Name: | 3-methyl-6-[4-(2-phenoxypropanoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | CC(C(N1CCN(CC1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8965 |
| logD: | 1.8965 |
| logSw: | -2.7913 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.06 |
| InChI Key: | HFEVMMZIQDBCMF-HNNXBMFYSA-N |