1-(7-{2-[5-(propan-2-yl)-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-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidine-1-sulfonyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
1-(7-{2-[5-(propan-2-yl)-1,2-oxazol-3-yl]pyrrolidine-1-sulfonyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | J005-0302 |
| Compound Name: | 1-(7-{2-[5-(propan-2-yl)-1,2-oxazol-3-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: | CC(C)c1cc(C2CCCN2S(c2ccc3c(c2)OCCN3C(C)=O)(=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6378 |
| logD: | 2.6378 |
| logSw: | -3.0686 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.325 |
| InChI Key: | UXHSGMXQJOEZGV-KRWDZBQOSA-N |