methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0039 |
| Compound Name: | methyl 3-[(3-methoxypropyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C13 H16 N2 O6 |
| Smiles: | COCCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4954 |
| logD: | 1.4954 |
| logSw: | -2.0855 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.663 |
| InChI Key: | UALKLUQPEUUXDT-UHFFFAOYSA-N |