methyl 3-[(2-ethylhexyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(2-ethylhexyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(2-ethylhexyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1971 |
| Compound Name: | methyl 3-[(2-ethylhexyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C17 H24 N2 O5 |
| Smiles: | CCCCC(CC)CNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.472 |
| logD: | 4.472 |
| logSw: | -4.4134 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.479 |
| InChI Key: | YDIOEOYHHJZRCK-LBPRGKRZSA-N |