methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | C301-8077 |
| Compound Name: | methyl 3-{[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 397.34 |
| Molecular Formula: | C19 H15 N3 O7 |
| Smiles: | CNC1=C(C(=O)Oc2ccccc12)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0888 |
| logD: | 0.1651 |
| logSw: | -3.0762 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.861 |
| InChI Key: | SABNMRNIVPXIKV-UHFFFAOYSA-N |