{2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone
{2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V009-9365 |
| Compound Name: | {2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C25 H21 N3 O4 |
| Smiles: | Cc1ccccc1c1ccc2c(c1)nc(C1CCCN1C(c1cccc(c1)[N+]([O-])=O)=O)o2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1703 |
| logD: | 5.1703 |
| logSw: | -4.9251 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.867 |
| InChI Key: | QYIYDOSYDZNKMD-QFIPXVFZSA-N |