methyl 3-(heptylcarbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(heptylcarbamoyl)-5-nitrobenzoate
methyl 3-(heptylcarbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0058 |
| Compound Name: | methyl 3-(heptylcarbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C16 H22 N2 O5 |
| Smiles: | CCCCCCCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0364 |
| logD: | 4.0364 |
| logSw: | -4.0726 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.32 |
| InChI Key: | CCLBDTCBUWBWSD-UHFFFAOYSA-N |