methyl 3-{[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | C301-8076 |
| Compound Name: | methyl 3-{[4-(cyclohexylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 465.46 |
| Molecular Formula: | C24 H23 N3 O7 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NC1=C(c2ccccc2OC1=O)NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0762 |
| logD: | 2.1933 |
| logSw: | -4.4834 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.165 |
| InChI Key: | CUYLVRBDENGPQB-UHFFFAOYSA-N |