ethyl 2-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)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-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-9695 |
| Compound Name: | ethyl 2-({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 551.03 |
| Molecular Formula: | C24 H21 Cl F2 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1cc2nc(cc(C(F)(F)[Cl])n2n1)c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7279 |
| logD: | 4.0812 |
| logSw: | -6.4076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.307 |
| InChI Key: | IUWCBURJOLEOMB-UHFFFAOYSA-N |