2-methoxyethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
2-methoxyethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | 3132-0561 |
| Compound Name: | 2-methoxyethyl 2-amino-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C21 H24 N2 O7 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OCCOC)c2cccc(c2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8316 |
| logD: | 1.8316 |
| logSw: | -2.1614 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.318 |
| InChI Key: | YFNYSZYWVNMMPZ-MRXNPFEDSA-N |