N-[(3-bromophenyl)methyl]-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-[(3-bromophenyl)methyl]-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-1199 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 366.28 |
| Molecular Formula: | C15 H16 Br N3 O S |
| Smiles: | CCc1c(cnc(n1)SC)C(NCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7681 |
| logD: | 3.7678 |
| logSw: | -3.7811 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.732 |
| InChI Key: | COINMAUGXRFSLR-UHFFFAOYSA-N |