methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(pyridine-3-carbonyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(pyridine-3-carbonyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(pyridine-3-carbonyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-5384 |
| Compound Name: | methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(pyridine-3-carbonyl)amino]propan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 495.44 |
| Molecular Formula: | C20 H19 F6 N3 O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(C(F)(F)F)(C(F)(F)F)NC(c1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6594 |
| logD: | -0.688 |
| logSw: | -4.3028 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.265 |
| InChI Key: | YUCJLWRFTZJYIK-UHFFFAOYSA-N |