1-{7-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
1-{7-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | J005-0301 |
| Compound Name: | 1-{7-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | CC(N1CCOc2cc(ccc12)S(N1CCCC1c1cc(C)on1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8008 |
| logD: | 1.8008 |
| logSw: | -2.6021 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.746 |
| InChI Key: | JAUJQPHBRDUJQQ-INIZCTEOSA-N |