methyl 3-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G525-0237 |
| Compound Name: | methyl 3-{[1-(2-methoxy-2-oxoethyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C19 H20 N2 O5 S |
| Smiles: | COC(CC1c2ccccc2CCN1C(Nc1ccsc1C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2471 |
| logD: | 3.2458 |
| logSw: | -3.3475 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.979 |
| InChI Key: | ZXKQCXKFEDKANA-HNNXBMFYSA-N |