methyl 3-[(3-butoxypropyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(3-butoxypropyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(3-butoxypropyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1967 |
| Compound Name: | methyl 3-[(3-butoxypropyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C16 H22 N2 O6 |
| Smiles: | CCCCOCCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6374 |
| logD: | 2.6374 |
| logSw: | -2.8055 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.592 |
| InChI Key: | KFLMDPHNZKOIMA-UHFFFAOYSA-N |