methyl 3-nitro-5-[(2,4,4-trimethylpentan-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(2,4,4-trimethylpentan-2-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(2,4,4-trimethylpentan-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-3699 |
| Compound Name: | methyl 3-nitro-5-[(2,4,4-trimethylpentan-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C17 H24 N2 O5 |
| Smiles: | CC(C)(C)CC(C)(C)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.057 |
| logD: | 4.0568 |
| logSw: | -4.2774 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.77 |
| InChI Key: | MINVBDPZFOVXOY-UHFFFAOYSA-N |