methyl 2-[2-(adamantan-1-yl)acetamido]-3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
methyl 2-[2-(adamantan-1-yl)acetamido]-3,4,5-trimethoxybenzoate
methyl 2-[2-(adamantan-1-yl)acetamido]-3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 8016-5584 |
| Compound Name: | methyl 2-[2-(adamantan-1-yl)acetamido]-3,4,5-trimethoxybenzoate |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C23 H31 N O6 |
| Smiles: | COC(c1cc(c(c(c1NC(CC12CC3CC(CC(C3)C2)C1)=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2103 |
| logD: | 2.2819 |
| logSw: | -4.3548 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.992 |
| InChI Key: | IOMZMWRWFZAIHJ-UHFFFAOYSA-N |