{2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(4-nitrophenyl)methanone
{2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V008-8123 |
| Compound Name: | {2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 443.46 |
| Molecular Formula: | C25 H21 N3 O5 |
| Smiles: | COc1cccc(c1)c1ccc2c(c1)nc(C1CCCN1C(c1ccc(cc1)[N+]([O-])=O)=O)o2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1655 |
| logD: | 5.1655 |
| logSw: | -5.0761 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.411 |
| InChI Key: | YEHNYXWGBYXYMR-QFIPXVFZSA-N |