5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | L555-0580 |
| Compound Name: | 5,6-dimethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-phenyl-4-(piperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C28 H31 N5 O S |
| Smiles: | Cc1c2c(nc(C(NCc3ccc(cc3)SC)=O)nc2n(c2ccccc2)c1C)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.1451 |
| logD: | 6.145 |
| logSw: | -5.6832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.411 |
| InChI Key: | STTMVRMLYKXXNM-UHFFFAOYSA-N |