methyl 3-[(3-methylbutyl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(3-methylbutyl)carbamoyl]-5-nitrobenzoate
methyl 3-[(3-methylbutyl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0803 |
| Compound Name: | methyl 3-[(3-methylbutyl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 294.3 |
| Molecular Formula: | C14 H18 N2 O5 |
| Smiles: | CC(C)CCNC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8295 |
| logD: | 2.8294 |
| logSw: | -3.3325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.32 |
| InChI Key: | HHIGOCXMKUNLQG-UHFFFAOYSA-N |