2-amino-7,7-dimethyl-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-9431 |
| Compound Name: | 2-amino-7,7-dimethyl-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C22 H24 N4 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)[N+]([O-])=O)N2CCOCC2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0296 |
| logD: | 2.0296 |
| logSw: | -2.5618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.743 |
| InChI Key: | XFFOTGBGXAXFOI-LJQANCHMSA-N |