1-{7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
1-{7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | J005-0305 |
| Compound Name: | 1-{7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | CC(N1CCOc2cc(ccc12)S(N1CCCC1c1c(C)noc1C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.617 |
| logD: | 1.617 |
| logSw: | -2.5146 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.556 |
| InChI Key: | URVJLISISYLBOQ-KRWDZBQOSA-N |