methyl 4-{[7-ethyl-2-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[7-ethyl-2-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino}benzoate
methyl 4-{[7-ethyl-2-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P645-1740 |
| Compound Name: | methyl 4-{[7-ethyl-2-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CCc1cc(C(Nc2ccc(cc2)C(=O)OC)=O)nc2cc(c3ccsc3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 4.4506 |
| logD: | 4.4432 |
| logSw: | -4.3212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.162 |
| InChI Key: | VAXXPUOBWPAGFR-UHFFFAOYSA-N |