methyl 6-({3-[(3,4-dihydroisoquinolin-2(1H)-yl)(oxo)acetyl]-1-(2-ethoxy-2-oxoethyl)-1H-indol-5-yl}amino)-6-oxohexanoate
Chemical Structure Depiction of
methyl 6-({3-[(3,4-dihydroisoquinolin-2(1H)-yl)(oxo)acetyl]-1-(2-ethoxy-2-oxoethyl)-1H-indol-5-yl}amino)-6-oxohexanoate
methyl 6-({3-[(3,4-dihydroisoquinolin-2(1H)-yl)(oxo)acetyl]-1-(2-ethoxy-2-oxoethyl)-1H-indol-5-yl}amino)-6-oxohexanoate
Compound characteristics
| Compound ID: | V002-2042 |
| Compound Name: | methyl 6-({3-[(3,4-dihydroisoquinolin-2(1H)-yl)(oxo)acetyl]-1-(2-ethoxy-2-oxoethyl)-1H-indol-5-yl}amino)-6-oxohexanoate |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C30 H33 N3 O7 |
| Smiles: | CCOC(Cn1cc(C(C(N2CCc3ccccc3C2)=O)=O)c2cc(ccc12)NC(CCCCC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9965 |
| logD: | 2.9965 |
| logSw: | -3.313 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.178 |
| InChI Key: | DYHSGGQFPWMBMG-UHFFFAOYSA-N |