methyl 2-{[6,7-dimethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[6,7-dimethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
methyl 2-{[6,7-dimethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G525-0094 |
| Compound Name: | methyl 2-{[6,7-dimethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C23 H26 N2 O7 |
| Smiles: | COC(CC1c2cc(c(cc2CCN1C(Nc1ccccc1C(=O)OC)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6561 |
| logD: | 2.6554 |
| logSw: | -3.335 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.222 |
| InChI Key: | IRNMBCHXNFFHOC-SFHVURJKSA-N |