methyl 2-{[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
methyl 2-{[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-7437 |
| Compound Name: | methyl 2-{[1-amino-5-(trifluoromethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C21 H20 F3 N3 O3 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2c(c3c4CCCCc4c(C(F)(F)F)nc3s2)N)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 5.3112 |
| logD: | 3.468 |
| logSw: | -5.2803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.095 |
| InChI Key: | UHGUPXHQONPAFQ-UHFFFAOYSA-N |