1-{6-[2-(3-methylphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[2-(3-methylphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
1-{6-[2-(3-methylphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D399-0185 |
| Compound Name: | 1-{6-[2-(3-methylphenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(N1CCCC1c1cccc(C)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2717 |
| logD: | 3.2717 |
| logSw: | -3.5146 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.518 |
| InChI Key: | DURLUHHPDFIMON-IBGZPJMESA-N |