rel-(3R,4R)-6-amino-4-(4-bromophenyl)-5-cyano-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-6-amino-4-(4-bromophenyl)-5-cyano-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carboxamide
rel-(3R,4R)-6-amino-4-(4-bromophenyl)-5-cyano-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8007-4240 |
| Compound Name: | rel-(3R,4R)-6-amino-4-(4-bromophenyl)-5-cyano-2-sulfanylidene-1,2,3,4-tetrahydropyridine-3-carboxamide |
| Molecular Weight: | 351.22 |
| Molecular Formula: | C13 H11 Br N4 O S |
| Smiles: | C(C1=C(N)NC([C@@H](C(N)=O)[C@@H]1c1ccc(cc1)[Br])=S)#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0229 |
| logD: | -0.2936 |
| logSw: | -2.0888 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 84.202 |
| InChI Key: | UHSZWWRZAUSSJJ-UWVGGRQHSA-N |