2-amino-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one
Chemical Structure Depiction of
2-amino-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one
2-amino-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one
Compound characteristics
| Compound ID: | 8008-5555 |
| Compound Name: | 2-amino-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-3-nitro-4,6,7,8-tetrahydro-5H-1-benzopyran-5-one |
| Molecular Weight: | 360.36 |
| Molecular Formula: | C18 H20 N2 O6 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)[N+]([O-])=O)c2ccc(c(c2)OC)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6373 |
| logD: | 1.6368 |
| logSw: | -2.133 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.024 |
| InChI Key: | PIJGFCFEMLFZKI-AWEZNQCLSA-N |