5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | S639-3699 |
| Compound Name: | 5-chloro-N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-2-yl)pyrrolidin-3-yl]thiophene-2-carboxamide |
| Molecular Weight: | 365.88 |
| Molecular Formula: | C16 H20 Cl N5 O S |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1ccc(s1)[Cl])=O)c1ncccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4062 |
| logD: | 0.1181 |
| logSw: | -3.2069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.528 |
| InChI Key: | ROASMEGZQWULKG-RYUDHWBXSA-N |