1-{7-[2-(5-ethyl-3-methyl-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-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
1-{7-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | J005-1115 |
| Compound Name: | 1-{7-[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | CCc1c(C2CCCN2S(c2ccc3c(c2)OCCN3C(C)=O)(=O)=O)c(C)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1266 |
| logD: | 2.1266 |
| logSw: | -2.7443 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.305 |
| InChI Key: | LSOGUCBXUFRHPP-KRWDZBQOSA-N |