1-(6-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-cyclopropyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-cyclopropyl-1H-pyrazole-3-carboxamide
1-(6-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-cyclopropyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | M872-3897 |
| Compound Name: | 1-(6-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-cyclopropyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C20 H17 N7 O2 S |
| Smiles: | C1CC1NC(c1ccn(c2cc(ncn2)SCC(Nc2ccc(C#N)cc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1137 |
| logD: | 2.1134 |
| logSw: | -3.0102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.517 |
| InChI Key: | NUXLQCIQAOWPNE-UHFFFAOYSA-N |