methyl 1-oxo-2-[(1,2,3-trimethyl-1H-indole-5-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2-[(1,2,3-trimethyl-1H-indole-5-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxylate
methyl 1-oxo-2-[(1,2,3-trimethyl-1H-indole-5-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0126 |
| Compound Name: | methyl 1-oxo-2-[(1,2,3-trimethyl-1H-indole-5-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C23 H21 N3 O4 |
| Smiles: | Cc1c2cc(ccc2n(C)c1C)C(NN1C=C(C(=O)OC)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4199 |
| logD: | 2.4175 |
| logSw: | -2.9585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.517 |
| InChI Key: | DPKAEPVLYIUXQL-UHFFFAOYSA-N |