diethyl 3-methyl-5-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 3209-0384 |
| Compound Name: | diethyl 3-methyl-5-{[rel-(5R,7S)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 556.58 |
| Molecular Formula: | C23 H23 F3 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1cc2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.69 |
| logD: | 2.6457 |
| logSw: | -4.481 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.177 |
| InChI Key: | SLGZNXXWVHIKNP-IUODEOHRSA-N |