N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2,4-dimethyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2,4-dimethyl-1,3-thiazole-5-carboxamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2,4-dimethyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | S639-0880 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-3-yl)methyl]pyrrolidin-3-yl}-2,4-dimethyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C19 H27 N5 O S |
| Smiles: | Cc1c(C(N[C@@H]2CN(Cc3cccnc3)C[C@H]2CN(C)C)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9155 |
| logD: | -1.1511 |
| logSw: | -1.5986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.334 |
| InChI Key: | YFAQICBCSGVOLS-IRXDYDNUSA-N |