3-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | D399-0128 |
| Compound Name: | 3-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C19 H20 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C1CCCN1S(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0683 |
| logD: | 3.0683 |
| logSw: | -3.5026 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.381 |
| InChI Key: | MKRXSHOSJYHWDN-INIZCTEOSA-N |