methyl 3-nitro-5-(pentylcarbamoyl)benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-(pentylcarbamoyl)benzoate
methyl 3-nitro-5-(pentylcarbamoyl)benzoate
Compound characteristics
| Compound ID: | Y032-0041 |
| Compound Name: | methyl 3-nitro-5-(pentylcarbamoyl)benzoate |
| Molecular Weight: | 294.3 |
| Molecular Formula: | C14 H18 N2 O5 |
| Smiles: | CCCCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0445 |
| logD: | 3.0445 |
| logSw: | -3.2813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.32 |
| InChI Key: | KMCYEVDXVVTJDP-UHFFFAOYSA-N |