methyl 2-[(cyclohexanecarbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(cyclohexanecarbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[(cyclohexanecarbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0072 |
| Compound Name: | methyl 2-[(cyclohexanecarbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C18 H20 N2 O4 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1221 |
| logD: | 2.119 |
| logSw: | -2.7409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.427 |
| InChI Key: | BSSZGMGLOYEDAG-UHFFFAOYSA-N |