3-benzyl-4-methyl-9-(3-nitrophenyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
3-benzyl-4-methyl-9-(3-nitrophenyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
3-benzyl-4-methyl-9-(3-nitrophenyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0344 |
| Compound Name: | 3-benzyl-4-methyl-9-(3-nitrophenyl)-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C25 H20 N2 O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc1c2CN(CO1)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4677 |
| logD: | 5.4677 |
| logSw: | -5.5781 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.259 |
| InChI Key: | RMBGHVNMZJMFTJ-UHFFFAOYSA-N |