{2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone
{2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V008-7325 |
| Compound Name: | {2-[5-(4-fluoro-3-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C25 H20 F N3 O4 |
| Smiles: | Cc1cc(ccc1F)c1ccc2c(c1)nc(C1CCCN1C(c1cccc(c1)[N+]([O-])=O)=O)o2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4958 |
| logD: | 5.4958 |
| logSw: | -5.448 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.867 |
| InChI Key: | IDCYENLORMSURR-QFIPXVFZSA-N |