N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide
N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | E569-0040 |
| Compound Name: | N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-4-(4-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 395.42 |
| Molecular Formula: | C20 H21 N5 O4 |
| Smiles: | Cc1ccc2c(c1)c(CNC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 3.453 |
| logD: | 3.453 |
| logSw: | -3.677 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.366 |
| InChI Key: | JEFOXRQJRANPCJ-UHFFFAOYSA-N |