ethyl 2-{[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5012 |
| Compound Name: | ethyl 2-{[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 569.02 |
| Molecular Formula: | C24 H20 Cl F3 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1cccs1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8429 |
| logD: | 3.2576 |
| logSw: | -6.6477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.624 |
| InChI Key: | YRSVFVQKFWNNEC-UHFFFAOYSA-N |