N-benzyl-5-chloro-N-[(furan-2-yl)methyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-5-chloro-N-[(furan-2-yl)methyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
N-benzyl-5-chloro-N-[(furan-2-yl)methyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0544 |
| Compound Name: | N-benzyl-5-chloro-N-[(furan-2-yl)methyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | CCCSc1ncc(c(C(N(Cc2ccccc2)Cc2ccco2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7263 |
| logD: | 4.7263 |
| logSw: | -4.7942 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.512 |
| InChI Key: | BBQOTBIPNMAIQQ-UHFFFAOYSA-N |