2-(diethylamino)ethyl 4-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate
2-(diethylamino)ethyl 4-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8017-3464 |
| Compound Name: | 2-(diethylamino)ethyl 4-[(8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C24 H25 N3 O8 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(C1=Cc2cc(cc(c2OC1=O)OC)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.742 |
| logD: | 2.7736 |
| logSw: | -4.0658 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.407 |
| InChI Key: | IISMNUFKNQXEJR-UHFFFAOYSA-N |