methyl 2-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
methyl 2-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G525-0175 |
| Compound Name: | methyl 2-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | COC(CC1c2ccccc2CCN1C(Nc1ccccc1C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5532 |
| logD: | 3.5526 |
| logSw: | -3.5832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.961 |
| InChI Key: | CCYCHPOSDOLNKW-SFHVURJKSA-N |